Bugfix Author: Ting Wang and Rebecca Wade Date: May 01, 2002 Program: anal Description: Computing the interaction energy between each residue in the pdb file by using -1 as the beginning residue number of a group definition in the input file. And increasing the maximum group number from 70 to 400. Fix: apply the first patch to amber8/src/lib/rgroup.f and the second patch to amber8/src/anal/mdread.f Command: patch -c file_to_be_patched patchfile ---------------------------------------------------------------------- *** rgroup.f --- rgroup.f *************** *** 165,165 **** ! IF(ITIME.EQ.2.AND.IGRP(1).LT.0) LSIGN = 1 --- 167,167 ---- ! IF(ITIME.EQ.1.AND.IGRP(1).LT.0) LSIGN = 1 ---------------------------------------------------------------------- ---------------------------------------------------------------------- *** mdread.f --- mdread.f *************** *** 121,121 **** ! IF(NGRPX.LE.0) NGRPX = 70 --- 121,121 ---- ! IF(NGRPX.LE.0) NGRPX = 400 ----------------------------------------------------------------------