Hi, all- Rest essentially scales the solute-solvent interactions, but maintains the solute-solute interactions. This can be done solely with Hamiltonian replica exchange, which is in 4.6. It's a bit tricky, though. We plan on having something that does this automatically in 5.0 or 5.1, but it's not there yet.
What do you intend to do? It could be that there's a better way to do what you want to do with Hamiltonian replica exchange, as well. On Sat, Oct 26, 2013 at 3:52 PM, David Osguthorpe <david.osgutho...@gmail.com> wrote: > > Hi > > Ive been looking for a sample input for a REST simulation but > so far have not been able to find one. > > Does anybody have an example to share? > > Ive seen the tutorial by Mark which mentions REST but I dont > see this included in the archived examples. > > Am I missing something? > > Thanks for any help > > David > -- > 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 -- 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
