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
Belquis > Hi Belquis, > > I think you have the same problem mentioned on this list a short while > ago: you're trajectory (.trr) probably didn't contain velocities other > than the first frame. Check the .mdp options (nstvout). > > Cheers, > > Tsjerk > > On 5/1/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote: >> Hello all, >> >> I restarted a crashed run due to power outage using these command >> lines: >> >> tpbconv -s md0-30ns.tpr -f md0-30ns.trr -e md0-30ns.edr -o >> md0-30ns-C.tpr >> >> then >> >> >> mdrun -s md0-30ns-C.tpr -e md0-30ns-C.edr -o md0-30ns-C.trr -x >> md0-30ns-C.xtc -c after_md0-30ns-C.gro -g md0-30ns-C.log >> >> >> The run was for 30 ns..However the new tpr started from time zero and >> it >> didnt do a continuation run from the crashed md. it is doing the whole >> 30 >> ns again, instead of completing what was left from the first run. It >> seems >> I am missing something? would anyone plz direct me on how to do this? >> >> Thank you >> >> Belquis >> >> _______________________________________________ >> gmx-users mailing list [email protected] >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [EMAIL PROTECTED] >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > > -- > Tsjerk A. Wassenaar, Ph.D. > Junior UD (post-doc) > Biomolecular NMR, Bijvoet Center > Utrecht University > Padualaan 8 > 3584 CH Utrecht > The Netherlands > P: +31-30-2539931 > F: +31-30-2537623 > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before > posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
