Hello, I am running an energy minimization script that works quite well, except that I can't find any of the checkpoint files that mdrun is supposed to provide. I've been looking through the docs for a while, and I can't seem to find a reason. I have tried the script on multiple systems, and multiple installations of gromacs (I am using 5.1.4 with MPI).
Here is the mdrun command I am using: mdrun_sp -v -s em.tpr -o mintraj -g mdlog -c solvated.gro -x solvated_traj -cpo state.cpt -cpt 1. The -cpt 1 should give mean that a .cpt file is recorded every minute, but no file is found in the directory where I run the script from. mdrun works well otherwise. I'd appreciate any help. Thanks. Yonatan -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
