[gmx-users] which xtc file should be used for the trjconv command

[lina]

On Thu, Apr 5, 2012 at 11:50 AM, Acoot Brett <acootbrett at yahoo.com> wrote:
> Dear All,
>
> In the on-line tutorial on lysozyme
> (http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/09_analysis.html),
> there is a command
>
> trjconv -s md_0_1.tpr -f md_0_1.xtc -o md_0_1_noPBC.xtc -pbc mol -ur compact
>
> Will you please consider in that command whether we can change md_1_1.xtc to
> state.xtc?

Yes.

>
> I am looking forward to getting your reply.
>
> Cheers,
>
> Acoot
>
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