********>Bugfix 53:
Author: Ross Walker and Wei Zhang
Date: 10/14/2005
Programs: tLeap and XLeap
Description: When reading in an frcmod file containing adjusted
improper torsion parameters Leap may not overide the
parameters that were read in from the main parmxx.dat file.
Fix: Apply the following patch to amber8/src/leap/src/parmSet.c
------------------------------------------------------------------------------
*** parmSet.c 2005-10-14 09:09:13.000000000 -0700
--- parmSet.c 2005-10-14 09:09:41.000000000 -0700
***************
*** 514,524 ****
int iNew, iOld;
! iNew = iParmSetTorsionGenerality( tmPCur->tpTorsion.sType1,
tmPCur->tpTorsion.sType2,
tmPCur->tpTorsion.sType3,
tmPCur->tpTorsion.sType4 );
! iOld = iParmSetTorsionGenerality( tpPTorsion->sType1,
tpPTorsion->sType2,
tpPTorsion->sType3,
tpPTorsion->sType4 );
--- 514,524 ----
int iNew, iOld;
! iOld = iParmSetTorsionGenerality( tmPCur->tpTorsion.sType1,
tmPCur->tpTorsion.sType2,
tmPCur->tpTorsion.sType3,
tmPCur->tpTorsion.sType4 );
! iNew = iParmSetTorsionGenerality( tpPTorsion->sType1,
tpPTorsion->sType2,
tpPTorsion->sType3,
tpPTorsion->sType4 );
-------------------------------------------------------------------------------
Temporary workaround: Edit the main parm file with your improper dihedral
changes instead of using a frcmod file.