[gmx-users] About gromacs density command

Justin Lemkul jalemkul at vt.edu
Tue Jan 31 19:07:08 CET 2017

On 1/31/17 12:41 PM, Poncho Arvayo Zatarain wrote:
> Hello gromacs user: i´m trying to obtain the membrane density of a dppc-dppe
> membrane, but i don´t know very well the command that i need to use. I have
> an idea: gmx_density -f file.xtc -n file.ndx -s file.tpr -ei file.dat -o
> file.xvg. File.dat corresponds to electrons.dat of dppc and/or dppe. Is this
> correct?

Yes.  See the help description for how to create the file.



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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