I came across one such application name PLUMED plugin for gromacs, for dihedral restraints as the reaction coordinate. If you can suggest any other application for the same, kindly let me know.
--Thanks Neeru > On 4/15/13 2:27 AM, neeru sharma wrote: > > Dear gromacs users, > > > > > > I want to calculate PMF using pull code in gromacs, taking a psi angle as > > the reaction coordinate. > > I have a doubt where it is possible with the geometry options, currently > > available in gromacs? > > > > This is an application of either dihedral restraints or the new enforced > rotation options. > > -Justin > -- 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
