[gmx-users] About msd and lateral diffussion command

Justin Lemkul jalemkul at vt.edu
Tue Mar 28 19:20:19 CEST 2017

On 3/28/17 12:17 PM, Poncho Arvayo Zatarain wrote:
> Hello gromacs user: I want to obtain the msd and lateral diffussion for
> dppc/dppe membranes. I have this command: gmx msd -f file.tpr -s file.xtc
> -lateral z -rmcomm -beginfit 20000 -endfit 130000 -o msd.xvg <<< 2 3. Where 2
> & 3 are dppc and dppe. Wht do you think about my command? It´s ok or is there
> anything wrong?.

What happened when you gave the command?



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


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