[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,
> Una
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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

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