> Quoting Louic Vermeer <[EMAIL PROTECTED]>: > >> On Tuesday 5 February 2008 14:02, Egidijus Kuprusevicius wrote: >> > I know that something is wrong with my mdp file, >> > but do not know what exactly can cause it (what parameters I should do >> not >> > use or use instead). >> It would help to include your mdp file in your message. > > ...and perhaps a description of your system and the force field you are > using. > A simple globular protein in water is quite different from a multi-domain > membrane protein with a ligand bound! Without some idea of what you're > trying > to accomplish, we can only guess.
And likewise, more of the output, e.g. stdout or the tail of the logfile if this is actually an mdrun problem. Mark _______________________________________________ gmx-users mailing list [email protected] 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
