[gmx-users] xtc file

Carla Jamous carlajamous at gmail.com
Tue Jan 26 12:05:08 CET 2010


Thank you .
Carla

On Tue, Jan 26, 2010 at 11:53 AM, Carsten Kutzner <ckutzne at gwdg.de> wrote:

>
> On Jan 26, 2010, at 11:48 AM, Carla Jamous wrote:
>
> > Hi everyone,
> >
> > Please I'm having a problem with mdrun:
> > If I type:
> > mdrun -v -s test.tpr -o test.trr -c test.pdb -x test.xtc -e test.edr -g
> test.log
> >
> > I never get the .xtc file. Can anyone tell me why & what can I do to have
> an .xtc file?
> In your input .mdp file you have to set nstxtcout to something larger than
> 0.
>
> Carsten--
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