[gmx-users] printing option

[Hadi Rahmaninejad]

Thank you so much Dr. Lemkul.

Hadi

On Thu, Nov 7, 2019 at 2:04 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/7/19 12:26 PM, Patel, Lara Anne wrote:
> > Hi Hadi,
> >
> >
> > I have only gotten prints of "stepXXX.pdb" when something is going wrong
> with the simulation.  That is not a printing option but rather supposed to
> help you in diagnosing the problem.
>
> This is indeed their intended purpose. If suppressing them is really
> necessary, one can do that with
>
> export GMX_SUPPRESS_DUMP=1
>
> -Justin
>
> >
> > ________________________________
> > From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Hadi
> Rahmaninejad <ha.rahmaani at gmail.com>
> > Sent: Thursday, November 7, 2019 10:04:58 AM
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] printing option
> >
> > Hello gromacs users,
> >
> > Can any body give me a reference page in gromacs manual for printing
> option
> > in energy minimization? I know for nvt other steps, but in energy
> > minimization it automatically prints a lot of "stepXXX.pdb" which are
> > unnecessary and I want to avoid that.
> >
> > Thanks,
> > Hadi
> > --
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> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
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>
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