[gmx-users] defining 2 posres at a time in mdp

anwar at cdfd.org.in anwar at cdfd.org.in
Fri Sep 29 12:28:11 CEST 2006


hi all,
I want to define position restraints for a part of protein and water molecules 
also. I need to deinfe -DPOSRES and -DPOSRES_WATER at the same time. When 
I do it on separate lines in the mdp file, only first line is being read 
and accepted. Is there any way to include both of them in the same mdp 
file simultaneously. 
regards
anwar
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