[gmx-users] .xtc and .trr file is missing
Tsjerk Wassenaar
tsjerkw at gmail.com
Mon Jun 22 09:21:18 CEST 2015
Hi RJ,
For an XTC file, you need to set nstxtcout (GMX 4.x) or nstxout_compressed
(GMX 5). A TPR file is a run _input_ file and is not generated as output.
Cheers,
Tsjerk
On Mon, Jun 22, 2015 at 6:11 AM, RJ <rajiv at kaist.ac.kr> wrote:
> Dear gmx.
>
>
> I run 100ns simulation of my protein with ligand. After completing the
> 100ns, the output doesnt give .xtc and .tpr files of final output. i could
> find .cpt .edr .gro .tpr files of final output.
>
>
> Please guide me how can i get the final output of these files ? Thanks
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--
Tsjerk A. Wassenaar, Ph.D.
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