thanks Mark and Tsjerk
i got it..!
--- On Mon, 4/11/11, Tsjerk Wassenaar wrote:
From: Tsjerk Wassenaar
Subject: Re: [gmx-users] orientational relaxation
To: "Discussion list for GROMACS users"
Date: Monday, April 11, 2011, 10:54 PM
Hi Daniel,
If you want to fix the com position, s
Hi Daniel,
If you want to fix the com position, specify the molecule as comm-grps. If
you really don't want movement of the com, and use pressure coupling, first
put the molecule at the origin.
Hope it helps,
Tsjerk
On Apr 12, 2011 7:28 AM, "Mark Abraham" wrote:
> yes , position restraints of
Subject: Re: [gmx-users] orientational relaxation
To: "Discussion list for GROMACS users"
Date: Monday, April 11, 2011, 9:10 PM
dear users
how can i make a orientational relaxation without traslation of
molecules center of mass
thanks in advances
yes , position restraints of molecules that only allow to orient.
regards.
--- On Mon, 4/11/11, Mark Abraham wrote:
From: Mark Abraham
Subject: Re: [gmx-users] orientational relaxation
To: "Discussion list for GROMACS users"
Date: Monday, April 11, 201
dear users
how can i make a orientational relaxation without traslation of
molecules center of mass
thanks in advances
Position restraints?
Mark
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dear users
how can i make a orientational relaxation without traslation of molecules
center of mass
thanks in advances
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http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/M
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