Dear Gromacs Users/ Experts and Beginners, I'm using Gromacs 4.5.3 to run REMD simulation. The REMD simulations stooped abruptly and therefore the replicas have uneven information. One of the checkpoint differ in time and frame compared to other replicas. My case is very similar to the problem reported in the Gromacs mailinglist [1]. I did what was suggest in the above [1] to truncate all the trajectories to a previous checkpoint which is available (I have extensive checkpoint files backups). Even after truncation it does not work. Gromacs terminates immediately after realizing the files got truncated. Can someone help me, how can I restart my REMD simulation?
Thanks, Henri 1: Restarts: Truncation of file *.xtc failed http://comments.gmane.org/gmane.science.biology.gromacs.user/33505 -- 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
