[gmx-users] mdrun -x

Tamas Horvath hotafin at gmail.com
Wed Feb 1 14:14:53 CET 2006


No... I thought by default it's the same as nstxout...
So it is not.

On 2/1/06, Osmair Vital de Oliveira <osmair at qt.dq.ufscar.br> wrote:
>
>
> Dear,
>
> Do you used in .mdp option: nstxtcout
>
> Osmair V. Oliveira
> Brazil
> homepage: www.lqt.dq.ufscar.br
>
>
> On Wed, 1 Feb 2006, Tamas Horvath wrote:
>
> > Hi!
> I issue the following command:
> mdrun -s 1AIE_R337H_md -o 1AIE_R337H_md -c 1AIE_R337H_ch -heavyh -v -nice
> 8
> -e 1AIE_R337H_energy  -x 1AIE_R337H_md.xtc
>
> it runs nicely, but the .xtc file is not generated. I'm using 3.2.1. What
> could be the problem?
>
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