From: Adam Herbst <ad...@cornell.edu> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Mon, 28 March, 2011 0:02:17 Subject: [gmx-users] Is there still interest in rigid-body simulation?
> Hi all, > I have seen a few posts on gmx-users indicating a desire to treat certain > atom > groups as rigid bodies in MD simulations. I just started implementing this, >and > > so far I have it working for translational forces (not rotation, though this > should be simple to add), even when the group is split over multiple >processors. > > At the moment I have the rigid body groups specified as freeze groups in the > mdp file, but there could be a separate option. Would anyone else find this > useful? I would warmly welcome this feature! :) -- 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
