I have the same feeling, thank you. But in general mass can influence the equilibrium property so I guess yes.
Steven On Thu, Jul 11, 2013 at 1:27 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 7/11/13 8:17 AM, Steven Neumann wrote: > >> Thank you. Another question: Does RDF depends on the mass of the atom? On >> the one hand it gives different value of the force in equation of motion >> but on the other hand velocities are rescaled with a thermostat. >> >> > My impression would be that the masses always affect the dynamics, but in > this specific instance, I can't say how the outcome will change. I think > it would also depend on the magnitude of change in the mass and whether or > not you can sample enough to ever see a difference because of it. > > > -Justin > > -- > ==============================**==================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Associate > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu> | > (410) > 706-7441 > > ==============================**==================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<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
