[gmx-users] Latera Diffusion

Justin Lemkul jalemkul at vt.edu
Tue Nov 15 02:45:24 CET 2016

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 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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list