On 11/14/16 2:50 PM, m g wrote:
Dear Justin Lemkul,I studied your tutorial"Kalp15 in DPPC". What lag time was used for the calculation ofthe MSDs?Many Thanks
There's no meaningful analysis in the tutorial. It's just an example of how to set up proper index groups and execute the command. Typically, one needs several hundred ns of simulation time for diffusion properties in membranes to be reliable.
-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 [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].
