[Tsjerk] why do you write velocities and forces every 10 ps? Third world country my friend, energy supply is not that stable over here. Also the queue to run a process is huuuge, so every hour is important. In the end I do a trjconv to reduce # of frames.
Great "Doing Restarts" whoever wrote it :D http://wiki.gromacs.org/index.php/Doing_Restarts On 10/9/07, Mark Abraham <[EMAIL PROTECTED]> wrote: > sarbani chattopadhyay wrote: > > > > hi, > > I have been running a molecular dynamics simulation for 2 > > nanoseconds.But it stopped in > > the middle because of an internal problem.Is there any way to restart > > the simulation from > > the point it has stopped? > > See http://wiki.gromacs.org/index.php/Doing_Restarts for an expanded > discussion. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 > -- Diego Enry B. Gomes Laboratório de Modelagem e Dinamica Molecular Universidade Federal do Rio de Janeiro - Brasil. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
