Hi users, I would like to restart some REMD simulations done with the cvs code with the new checkpoint feature, but I'm unsure if I'm doing it right. Each replica has its own state#.cpt file, but it seems to me that the -cpi option of the cvs mdrun (at version 3.3.99_development_20080718) only allows one checkpoint file. Is that enough for a correct restart? I did some tests, and it does restart the dynamics, however I'm not sure if it's done ok. Why then, do we get a checkpoint file for each replica?
Best, Guillem _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
