[gmx-users] Changing temperature and pressure in lipid bilayer simulation.

Justin Lemkul jalemkul at vt.edu
Fri Jan 24 18:31:21 CET 2014

On 1/23/14, 7:16 PM, jhosamelly wrote:
> Thank you for your reply. I appreciate it. I'm reading the sections on the manual you said. I came across that before already but I don't really know how to apply it. LOL. I'll try to figure it out.
> About the extraction of water from the bilayer. What I mean is, in a bilayer we know that the top part is water, the middle is the lipid and the bottom part is also water. What I wanna do is extract most of the water from the bilayer and the only thing left is the lipid (and maybe some water). Thanks.

Such a task can be accomplished with g_select, trjconv, or a script of your own 



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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