sorry to ask again, I hope this is my last question about this. since I know now that the restarted run I did started from 0 time. I killed the job and it wrote velocity for the last frame. So since i knew i have to contiune this run that I just killed, I used tpbconj and it wrote a new tpr file and it said it will restart it from the time I killed the job ( half the simulation). SO i think I am set now to continue the simulation this way.
Thank u > [EMAIL PROTECTED] wrote: >> Hi, >> >> I ran gmxcheck and 0 frames have velocities. >> >> so it means it started from beginning? >> >> Belquis >> >> > yes. > > -- > David. > ________________________________________________________________________ > 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 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > _______________________________________________ > 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
