Hi, I don't follow. Constant velocities can't be consistent with a dynamical simulation with forces between particles.
Mark On Fri, Apr 6, 2018, 19:30 Qasim Pars <qasimp...@gmail.com> wrote: > Dear users, > > I would like to use the constant velocities for all the atoms of both > protein and ligand during all the simulation steps (EM, NVT, NPT and MD). > Do you know how I can do that with GROMACS? In this case, the COM, the > linear momentum and angular momentum of both groups wouldn't change during > the simulation and the internal motions still would retain. However, using > constant velocities won't alter the statistical consistency of the > simulations... > > Thanks. > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.