On Wed, May 29, 2013 at 3:14 PM, Fábio Filippi Matioli < fabiof...@hotmail.com> wrote:
> Hello, I have a problem. > I try to extending my simulation. I made this steps. > > tpbconv -s previous.tpr -extend timetoextendby -o next.tpr > mdrun -s next.tpr -cpi previous.cpt > > I need to put more things on mdrun, or only this? because my first mdrun > had 4 or 5 outputs, or the extending recognize de outputs from the first > time? > Checkpoint file contains everything you need to go on. > I cant run, and gromcs give me this error > > File appending requested, but only 2 of the 4 output files are present > > Tnks > > > I believe the idea is that you should have trajectory file, energy file, logfile, etc, so that gromacs could append them. If they have non-default name, you probably should specify them explicitly in the invocation line. Dr. Vitaly Chaban > Fábio Filippi MatioliGraduando em Física MédicaUNESP-BotucatuTel (19) > 9291.6738 -- > 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