[gmx-users] How to let some atoms not move in some direction?
zp.xu at mf.mpg.de
Thu Aug 22 08:49:35 CEST 2002
Then, what's the difference between -DPOSRE and freeze group?
----- Original Message -----
From: "Erik Lindahl" <lindahl at stanford.edu>
To: "zpxu" <zp.xu at mf.mpg.de>
Cc: <gmx-users at gromacs.org>
Sent: Wednesday, August 21, 2002 7:53 PM
Subject: Re: [gmx-users] How to let some atoms not move in some direction?
> zpxu wrote:
> > write them into posre.itp and define POSRE,
> > or creat a frozen group?
> Use a freeze group; you should find it covered in the manual, the mdp
> options webpage, and probably in the mailing list archive too (use the
> search facility).
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