[gmx-users] General Questions abdout gromacs
dmobley at gmail.com
Mon Nov 21 22:38:48 CET 2005
I don't think & leaves processes running if you log off; it just runs them
in the background.
Maybe try "nohup mdrun (usual options) &".
On 11/21/05, Sven Huttenhouse <mdsimulation at hotmail.com> wrote:
> Thank you Dr. Erik
> I used the following command:
> mdrun -nive 0 -v -s ............ ener.edr &
> and then I closed the x window I used and re opened it again. I tried to
> what programs are running in the cluster using top but I didn't find the
> mdrun running.
> did I used the right command? should there be a space between ".edr" and
> any suggestion??
> kind regards
> >From: Erik Lindahl <lindahl at sbc.su.se>
> >Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> >To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> >Subject: Re: [gmx-users] General Questions abdout gromacs
> >Date: Mon, 21 Nov 2005 19:33:44 +0100
> >Hi Sven,
> >On Nov 21, 2005, at 6:11 PM, Sven Huttenhouse wrote:
> >>Thank you all for replying
> >>What is the command that I have to use to run the mdrun in the
> >Personally, I like the free program "GNU screen" that you can compile if
> >it isn't already installed. This gives you access to multiple virtual
> >terminals that can be detached and later reattached to see the output.
> >Alternatively you can just use "&" at the end of a command to run it in
> >the background.
> >>where can I learn (read more) about LINCS or SHAKE??
> >See the manual. Gromacs constraints use LINCS by default.
> >Erik Lindahl <lindahl at sbc.su.se>
> >Assistant Professor, Stockholm Bioinformatics Center
> >Stockholm University, SE 106 91 Stockholm
> >Phone: +46 8 5537 8564 Fax: +46 8 5537 8214
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> >gmx-users at gromacs.org
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