! This is a template UHBD input
! It is read and rewritten by program makuhbdin.f 
! In order to not impair execution of this program you may introduce reasonable 
! changes here except the lines beginning with ! and not place any 
! assignments after the line ""! The end of assignments"
! Note that the program only overwrites the ionic strenth (ios) and 
! xc, yc, zc values after the line "! The end of assignments"

assign dim    =   65 end
assign ios    =   50 end
assign spa    =  1.5 end
assign rio    =  1.5 end
assign pd     =  1.0 end
assign sd     =  78  end
assign xc     =  0.000 end
assign yc     =  0.000 end
assign zc     =  0.000 end

! The end of assignments
! The end of re-assignments

read                   
    mol 1              
    file "dum.pdb"    
    fpdb               
end

set                    
    charge             
    radius             
    param opls         
    file "qtable.dat"  
end
print apar mol1 end

elec                   
    mol1               
    gcenter  $xc $yc $zc
    dime $dim $dim $dim
    pdie $pd
    sdie $sd
    bcfl 2             
    ionstr $ios
    rion $rio
    spacing $spa       
end

edit all radi shift 1.4 end
write phi file "dum.grd" binary exclude end

stop
