=============================
DM_PLCGD_2
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1030 atoms
  Centered at (2.078e+01, 1.005e+01, 8.889e+00)
  Net charge -8.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  85.689 MB total, 85.689 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 85.690 MB high water


Thanks for using APBS!

=============================
H_ABR
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1325 atoms
  Centered at (2.018e+01, 1.511e+01, 1.088e+01)
  Net charge 5.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  87.376 MB total, 87.376 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 87.377 MB high water


Thanks for using APBS!

=============================
H_BSYN2_2
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1136 atoms
  Centered at (2.233e+01, 1.112e+01, 1.047e+01)
  Net charge 6.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  86.288 MB total, 86.288 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 86.289 MB high water


Thanks for using APBS!

=============================
H_BTK
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1383 atoms
  Centered at (2.227e+01, 1.319e+01, 6.688e+00)
  Net charge 7.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  86.042 MB total, 86.042 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 86.044 MB high water


Thanks for using APBS!

=============================
H_MIG2
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1149 atoms
  Centered at (2.207e+01, 1.138e+01, 9.135e+00)
  Net charge 5.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  86.498 MB total, 86.498 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 86.499 MB high water


Thanks for using APBS!

=============================
H_ORFA
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  986 atoms
  Centered at (2.018e+01, 1.247e+01, 1.095e+01)
  Net charge 5.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  83.472 MB total, 83.472 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 83.474 MB high water


Thanks for using APBS!

=============================
H_PLCG_2
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1036 atoms
  Centered at (2.165e+01, 1.035e+01, 9.392e+00)
  Net charge -6.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  85.626 MB total, 85.626 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 85.627 MB high water


Thanks for using APBS!

=============================
HSORFV
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1015 atoms
  Centered at (2.238e+01, 1.235e+01, 1.038e+01)
  Net charge 6.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  84.369 MB total, 84.369 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 84.370 MB high water


Thanks for using APBS!

=============================
TC_SYN_2
=============================


----------------------------------------------------------------------
    APBS -- Adaptive Poisson-Boltzmann Solver
    Version 3.0
    
    Nathan A. Baker (nathan.baker@pnnl.gov)
    Pacific Northwest National Laboratory
    
    Additional contributing authors listed in the code documentation.
    
    Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific
    Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific
    Northwest Division for the U.S. Department of Energy.
    
    Portions Copyright (c) 2002-2010, Washington University in St. Louis.
    Portions Copyright (c) 2002-2020, Nathan A. Baker.
    Portions Copyright (c) 1999-2002, The Regents of the University of California.
    Portions Copyright (c) 1995, Michael Holst.
    All rights reserved.
    
    Redistribution and use in source and binary forms, with or without
    modification, are permitted provided that the following conditions are met:
    
    * Redistributions of source code must retain the above copyright notice, this
      list of conditions and the following disclaimer.
    
    * Redistributions in binary form must reproduce the above copyright notice,
      this list of conditions and the following disclaimer in the documentation
      and/or other materials provided with the distribution.
    
    * Neither the name of the developer nor the names of its contributors may be
      used to endorse or promote products derived from this software without
      specific prior written permission.
    
    THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
    ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
    WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
    DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
    ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
    (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
    LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
    ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
    (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
    SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
----------------------------------------------------------------------
    APBS uses FETK (the Finite Element ToolKit) to solve the
    Poisson-Boltzmann equation numerically.  FETK is a portable collection
    of finite element modeling class libraries developed by the Michael Holst
    research group and written in an object-oriented form of C.  FEtk is
    designed to solve general coupled systems of nonlinear partial differential
    equations using adaptive finite element methods, inexact Newton methods,
    and algebraic multilevel methods.  More information about FEtk may be found
    at <http://www.FEtk.ORG>.
----------------------------------------------------------------------
    APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically.  
    Aqua is a modified form of the Holst group PMG library <http://www.FEtk.ORG>
    which has been modified by Patrice Koehl
    <http://koehllab.genomecenter.ucdavis.edu/> for improved efficiency and
    memory usage when solving the Poisson-Boltzmann equation.
----------------------------------------------------------------------
    Please cite your use of APBS as:

    Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of
    nanosystems: application to microtubules and the ribosome. Proc.
    Natl. Acad. Sci. USA 98, 10037-10041 2001.
    

This executable compiled on Jan 13 2022 at 19:01:44

Parsing input file apbs.in...
rank 0 size 1...
Parsed input file.
Got paths for 1 molecules
Reading PQR-format atom data from dum.pqr.
  1045 atoms
  Centered at (2.185e+01, 1.235e+01, 1.089e+01)
  Net charge -2.00e+00 e
Preparing to run 1 PBE calculations.
----------------------------------------
CALCULATION #1 (viz): MULTIGRID
  Setting up problem...
  Vpbe_ctor:  Using max ion radius (1.5 A) for exclusion function
  Debye length:  13.5612 A
  Current memory usage:  86.698 MB total, 86.698 MB high water
  Using linear spline charge discretization.
  Grid dimensions: 65 x 65 x 65
  Grid spacings: 1.500 x 1.500 x 1.500
  Grid lengths: 96.000 x 96.000 x 96.000
  Grid center: (21.349, 13.147, 11.460)
  Multigrid levels: 5
  Molecule ID: 1
  Linearized traditional PBE
  Single Debye-Huckel sphere boundary conditions
  2 ion species (0.050 M ionic strength):
    1.500 A-radius, 1.000 e-charge, 0.050 M concentration
    1.500 A-radius, -1.000 e-charge, 0.050 M concentration
  Solute dielectric: 1.000
  Solvent dielectric: 78.000
  Using "molecular" surface definition;harmonic average smoothing
  Solvent probe radius: 0.000 A
  Temperature:  298.150 K
  Potential to be written to dum.grd
  Calculating forces...
  Writing potential to dum-PE0.grd
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 1 molecules
Final memory usage:  0.001 MB total, 86.699 MB high water


Thanks for using APBS!

