Dear Kiana, You can contact with Paissoni Cristina (email: paissoni.crist...@hsr.it) to get tool using MM/PBSA with GROMACS. Hope it help :)
Cheers, Kieu Thu On Tue, Nov 5, 2013 at 7:18 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/5/13 3:45 AM, kiana moghaddam wrote: > >> Dear GMX Users >> >> >> >> I am using parmbsc0 force field to study DNA-ligand interaction but my >> problem is free energy calculation (MMPBSA) for this interaction. How can I >> calculate free energy using MMPBSA approach? >> >> Thank you very much for your time and consideration. >> >> > An identical question was asked on the list last week, including responses > about external software that will do these calculations. Gromacs does not > do MM/PBSA, but other programs will. > > -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
