[gmx-users] General Questions abdout gromacs
mdsimulation at hotmail.com
Mon Nov 21 19:49:47 CET 2005
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 see
what programs are running in the cluster using top but I didn't find the
did I used the right command? should there be a space between ".edr" and
>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
>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 backgroun?
>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
>>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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