[gmx-users] Missing .trr
David van der Spoel
spoel at xray.bmc.uu.se
Mon Jun 13 15:53:15 CEST 2005
On Mon, 2005-06-13 at 13:11 +0100, Una Bjarnadottir wrote:
> Hi hi,
> The computer system crashed so I have to restart my runs. No big deal
> but in some of my runs the .trr file from the mdrun is missing so I
> can't run tpbconv. I only have the .edr, .log and the .tpr files from
> these runs.
> Is there any way I can make a .trr file from these files to restart the
> runs from were they crashed because if the .trr file is not there it's
> like the whole run is still remaining.
If you don't have trr or xtc it can not be done.
> Thank you so much for any help in advance,
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users