Hi, please someone correct me if I'm wrong, but the equivalent of Gromacs 3.3.x :
pbc = full is pbc = xyz periodic_molecules = yes since Gromacs 4.0. Oliver http://manual.gromacs.org/current/online/mdp_opt.html#nl On Thu, Dec 3, 2009 at 08:22, Eudes Fileti <[email protected]> wrote: > Hello, > grompp 4.0.5 gave me the following error message. > ERROR: invalid enum 'full' for variable pbc, using 'xyz' > Next time use one of: 'xyz' 'no' 'xy' 'screw' > Could someone tell me what does the "screw" option? > I cant find it into paper and online manual, as well as at the gmx-list. > bests > eef -- gmx-users mailing list [email protected] http://lists.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
