dear justinI want to report final interactions in the form of an image. Is it wrong? Is it possible to create an image of all the frames? I sincerely thank you
On Sunday, November 30, 2014 8:47 PM, Justin Lemkul <jalem...@vt.edu> wrote: On 11/30/14 11:57 AM, Mahboobeh Eslami wrote: > hi GMX users > > i have simulated the protein-ligand complex by gromacs for 20ns. Which > configuration should be chosen for the study of interactions between proteins > and ligands? > Why choose one configuration when you have a whole trajectory's worth of data? That's the principal advantage of the simulation - you study dynamic behavior. A single snapshot rarely, if ever, tells the whole story. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (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 gmx-users-requ...@gromacs.org.