Hi, I have started a lengthy equilibration run, and I just realized that I have one of my parameters set incorrectly in my mdp file. Is there any way that I can manually abort the run?
I am using Gromacs 4.5.4 with parallel simulation with MPI and the command: mpirun -machinefile cp -np 8 mdrun -s nvt-pr.tpr -o nvt-pr.trr -c water.pdb -e nvt-pr.edr -g nvt-pr.log & Thank you. Andrew DeYoung Carnegie Mellon University -- 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
