[gmx-users] Deuterium order parameter for POPC/POPS mixed lipid bilayer

Justin Lemkul jalemkul at vt.edu
Tue Mar 1 19:22:56 CET 2016

On 3/1/16 1:20 AM, kamakshi sikka wrote:
> Hello everyone,
> I want to calculate deuterium order parameter for 25POPC/103POPS mixed
> lipid bilayer. But, I don't know how to make index groups for sn1 and sn2
> acyl chains for both POPS and POPC lipids separately.
> Please help.

Select by residue and atom name.  POPS and POPC will show up as different groups 
in the make_ndx prompt and you select the relevant atoms from them.



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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