Hi Sikandar Cheers. How do you actually define the energy groups?
Gavin Sikandar Mashayak wrote: > yes, you can make virtual sites interact with only specific sites by > using Energy Exclusion between energy groups. This can be done by > defining energy groups for virtual sites and other atoms, then exclude > or include the non-bonded interactions between them accordingly... > > On Thu, May 5, 2011 at 7:30 AM, Gavin Melaugh <gmelaug...@qub.ac.uk > <mailto:gmelaug...@qub.ac.uk>> wrote: > > Hi All > > Is it possible to have a virtual site interact with only specific > atoms > and not interact at all with everything else? > > > Cheers > > Gavin > -- > gmx-users mailing list gmx-users@gromacs.org > <mailto: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 > <mailto:gmx-users-requ...@gromacs.org>. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > -- 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
