[gmx-users] restarting on different cpu

David van der Spoel spoel at xray.bmc.uu.se
Wed May 18 13:14:14 CEST 2005

On Wed, 2005-05-18 at 13:01 +0200, acorrea at unisa.it wrote:
> Hallo to everybody,
> my problem is that I have trajectory (file.trr) and a ener.edr file from a
> simulation on pc cluster and I would like to use it for do a restart  but on a
> opteron.
> I am sure that exist same tool for formatted and convert again these files but I
> didn't find it 
> I try to use trjconv and enerconv but they don't seem to work .....
> Please, can somebody suggest me the rigth tool that I have to use
> .........................
> Thanks a lot in any case 
You don't need to convert anything.
Just tpbconv to make new tpr files.
> Cheers
> andrea  
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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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