Hello there, I have a practical question regarding the mdp file, regardless the system to simulate. Before I would run a md simulation, usually we have to run grompp in order to preprocess the system. So I obtain, among other files, the mdout.mdp, based on the input mdp file. My question:
If I want to run another simulation, with the same input, only with small changes in the mdp file (like number of steps or so), do I have to each time modify the input .mdp and run grompp, or is it enough if I modify mdout.mdp? Best regards, Andrea _______________________________________________ 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
