[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. 

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