[gmx-users] turn off pdb output
dmobley at gmail.com
Thu Mar 22 00:59:00 CET 2007
What value does this need to be set to for it to work?
On 3/20/07, Berk Hess <gmx3 at hotmail.com> wrote:
> There seems to be an environment variable NO_SHAKE_ERROR
> >From: "David Mobley" <dmobley at gmail.com>
> >Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> >To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> >Subject: [gmx-users] turn off pdb output
> >Date: Mon, 19 Mar 2007 10:28:42 -0700
> >Under some circumstances, mdrun writes out pdb files with previous and
> >current coordinates. Is there some way I can turn this off?
> >For reasons I'd rather not explain, I'm reprocessing a single
> >precision trajectory using the double precision version of mdrun, and
> >this results in pdb files being written every step. For obvious
> >reasons, I would like to avoid this.
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