Hi If you have a good parametrization of a molecule and it's pdb file and you use pdb2gmx for getting a topology, will the topology alway be finished?
It is usual to fix something in the topology file after pdb2gmx or are necessary additions in the topology a hint for a bad or even wrong parametrization in the force field? Thanks Greetings Lara -- 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
