Thanks!
2013/5/29 Dr. Vitaly Chaban <vvcha...@gmail.com> > 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 > -- 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
