Berk,
What value does this need to be set to for it to work?
Thanks,
David
On 3/20/07, Berk Hess <[EMAIL PROTECTED]> wrote:
There seems to be an environment variable NO_SHAKE_ERROR
Berk.
>From: "David Mobley" <[EMAIL PROTECTED]>
>Reply-To: Discussion list for GROMACS users <[email protected]>
>To: "Discussion list for GROMACS users" <[email protected]>
>Subject: [gmx-users] turn off pdb output
>Date: Mon, 19 Mar 2007 10:28:42 -0700
>
>All,
>
>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.
>
>Thanks,
>David
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