I am sorry, I meant the problem you suggest about g_wham, of the interpretation of the position restraints and the pmf calculation , that if I use x and y position restraint , I need and external wham, in order to get the correct pmf
Thanks Justin Andrés Ortega Ing. Electrónica Universidad del Valle El 8/04/2014, a las 9:57, "Justin Lemkul" <[email protected]> escribió: > > > On 4/8/14, 9:42 AM, Andres Ortega Guerrero wrote: >> Perhaps this problem is solved with gromacs 5.0 ? > > What problem? Please leave enough context to make the thread sensible. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA 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 > > [email protected] | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- > 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 [email protected]. -- 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 [email protected].
