Dear gromacs users, I ran a REMD on a HPC cluster equipped with a queue system. For this reason I carried out the simulation dividing it in chuncks. Because of this, each run started using the .cpt file from the previous one.
The simulation ran fine, but I noticed that the informations regarding attempts and probabilities are not stored so in each .log the data restart from 0 like a new simulation. Have I done something wrong or is it a known (except to me) issue? Francesco -- 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
