[gmx-users] Order Parameters for alkyl chain
jalemkul at vt.edu
Wed Apr 22 22:04:54 CEST 2015
On 4/22/15 11:51 AM, Sylvester Tumusiime wrote:
> Dear gromacs users,
> I am new to gromacs and i am trying to determine the order parameter for my
> lipid alkyl chain carbon atoms.
> I had a pdb file containing co-ordinates for a number of individual lipid
> monomers that i performed the g_order command on to obtain a .ndx file.
> At this point i have a .ndx file that i am not quite sure what to do with in
> order to have meaningful insights.
I would argue that a single snapshot of a bilayer isn't inherently meaningful,
anyway. If you've got the .ndx file, running gmx order is trivial.
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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