Mark Abraham ha scritto: > ms wrote: >> Ok, the problem is that I want to re-implement a quite minimal >> coarse-grained FF (so no explicit solvent etc.) and a directional >> interaction would be useful. > > Well you should consider alternative software, then.
I see. I wonder if patching gmx to do that is possible/difficult, however (I'm not confident at all in doing that, but I know closely people who are). > IIRC, CHARMM did have explicit H-bond models ages ago, but (again IIRC) > they're not in the modern versions and not in the upcoming GROMACS port. Ok, thanks for clarifying! Thanks, M. _______________________________________________ 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/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/mailing_lists/users.php
