[gmx-users] remove the atom clashes-reg
ithayaraja at gmail.com
Wed Aug 31 10:15:34 CEST 2011
I am doing simulation with three ligand so that I have applied deprecated
force field to the system.
I went through the reference which you cited to the following error. I
understood the error that It could be a clashes. It wanted to remove atom
clashes from my coordinate file, so Is there any option to do the same. help
Program grompp, VERSION 4.0.7
Source code file: ../../../../src/kernel/toppush.c, line: 947
Atomtype NR not found
Department of Bionformatics,
Coimbatore 641 046,
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