Aside from original question, you will probably want to initialize velocities (gen_vel) in order to evolve a different trajectory rather than repeating previous one.
Dr. Vitaly Chaban On Wed, May 29, 2013 at 1:00 PM, Dr. Vitaly Chaban <vvcha...@gmail.com>wrote: > If the frame was saved to the trajectory file, just extract it with > > trjconv -dump $timeframe -o conf.gro > > and continue your MD. > > No need for any additional energy minimizations, of course. > > Dr. Vitaly Chaban > > > > > > > On Wed, May 29, 2013 at 12:45 PM, Андрей Гончар <gontc...@gmail.com>wrote: > >> Hello, I've got a question. Is there a way to continue MD simulation, not >> from last state but from specific time of MD? Say we have made a MD, have >> analysed it and have found an interresting molecule conformation at >> specific frame. Can we continue from this point or we should extract this >> frame, make all minimisations etc.? >> >> -- >> Andrew Gonchar >> Андрей Гончар >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> * Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
