Peter, what errors might occurs if I've missed -nochargegrp option while parametrising my protein by means of pdb2gmx?
James 2012/12/20 Peter C. Lai <p...@uab.edu>: > (As a side note, Gromacs shouldn't use charge groups when using > all-atom charmm forcefields.) -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
