[gmx-users] Peptide orientation in lipid bilayers

Justin Lemkul jalemkul at vt.edu
Thu Mar 16 13:00:44 CET 2017

On 3/16/17 2:11 AM, Sanket Ghawali wrote:
> Dear, gmx-user,
> Hello everyone,
> I am simulating a peptide in POPC:POPG lipid bilayer.
> Currently following the Tutorial 2: KALP15 in DPPC,
> I would like too know how to initially place the peptide 30 A away and
> parallel to one side of the lipid bilayer.
> Any suggestions on how to go about doing this ?

You can apply rotations and translations, and/or set a center-of-mass position 
of any species using editconf.



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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