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

Dilraj Lama dennis at iitk.ac.in
Fri Sep 29 08:00:39 CEST 2006

  define them in the same line.


> 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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Dilraj Lama,
Graduate student,
Bioinformatics and Biomolecular Simualtion lab,
Dept. of BSBE;IITK-kanpur,
Uttar pradesh,India-208016.
email:dennis at iitk.ac.in,dilraj2002 at yahoo.com

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