>I am not sure, but I assume if you set new names, new files will be >created. The checkpoint input files contains important information about >your coordinates, velocities, states of random number generators for the >NH coupling .... That is the reason, why it is necessary for a >continuous extension of your run. The results should not depend on the >append option, only the number of resulting trajectories is affected. >The suffix "part???" will just arise if the files are already present >and you use -noappend. Now you will end up with two trajectories I >assume: > >* md50ns, >* md100ns, > >which are indistinguishable from a single continuous 100ns run and I >think that is what you want, isn't it ? > >/Flo
Thank you. I'm not sure,too. Exactly mdrun create md100ns.trr for me, but I'm not sure if any thing is right in the file. So I added -noappend to rerun it again and this result will be correct without doubt. By the way, md100ns.trr here mean from 50ns to 100ns. I just don't want the new run append to md50ns.trr to make me confused. Hsin-Lin -- 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
