Thank you..
On Wed, Nov 6, 2013 at 7:39 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/6/13 5:47 AM, Kavyashree M wrote: > >> Dear users, >> >> Sorry for repeating the same question. I just wanted to know >> whether is it ok if I have rlist > rcoulomb in ligand-water and >> prot-lig-water rerun md (with RF-0) while having rlist = rcoulomb >> in the original simulation using PME? >> >> > The energies are inherently going to be different because you are > evaluating nonbonded energies with different methods. Typically, I think > people just use long cutoffs for the recalculation. > > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > > ================================================== > -- > 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