Thank you for your reply Dr. Justin
On 7/31/13, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 7/31/13 7:00 AM, Mohsen Ramezanpour wrote: >> Hi everyone >> >> How can we have an error estimation for Gibbs binding free energy when >> I do umbrella sampling and PMF profile? >> >> Actually I did an umbrella sampling for protein and ligand complex and >> I have a PMF profile now but I do not know how much is my error! >> > > Read g_wham -h and the associated g_wham paper referenced in the Gromacs > manual. > It explains everything. > > -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