If you want to have the default behaviour of appending new output to the old files, GROMACS needs to be able to find those files and their content must be unchanged. If you cannot/will not satisfy that condition, you can use mdrun -noappend to force GROMACS to simulate on. Making sense of your output files is then your problem.
Mark On Wed, May 29, 2013 at 3:14 PM, Fábio Filippi Matioli < [email protected]> 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? > I cant run, and gromcs give me this error > > File appending requested, but only 2 of the 4 output files are present > > Tnks > > > Fábio Filippi MatioliGraduando em Física MédicaUNESP-BotucatuTel (19) > 9291.6738 -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
