[gmx-users] Restarting a crashed MD run

David van der Spoel spoel at xray.bmc.uu.se
Tue May 1 19:39:25 CEST 2007

bmmothan at ucalgary.ca wrote:
> Hi Tsjerk,
> thank u for the answer. I checked my mdp file (nstvout=0). I just want to
> make sure that since  nstvout=0 in my mdp file, and I used tpbconv means
> that it generated the run from the beginning of the crashed run? not the
> last frame? i
run gmxcheck on your trr file to see how many frames you have with 

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://folding.bmc.uu.se

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