Hello everybody, does anyone have a similar problem writing checkpoints from Gromacs 4.0.7?
I have two Gromacs versions, 4.0.5 and 4.0.7, compiled for bluegene. The 4.0.5 writes state.cpt during mdrun and at the end of simulation too. The 4.0.7 does it at the end of the run only, but not during the simulation. All input files (grompp.mdp, topol.top, conf) used to start mdrun are same. To set/change the -cpt option of mdrun didnt help. Will appreciate for any hint ! Best regards, Leonid -- gmx-users mailing list [email protected] http://lists.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
