[gmx-users] calculate area per lipid and bilayer thickness versus time
Kieu Thu Nguyen
kieuthu2212 at gmail.com
Mon Jan 21 16:17:21 CET 2013
Thank Justin ! That is APL. How about bilayer thickness ? I made
density.xvg file of headgroup from using g_density.
On Mon, Jan 21, 2013 at 7:31 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 1/21/13 5:12 AM, Kieu Thu Nguyen wrote:
>> Dear All,
>> I want to know that my lipid bilayer is equilibrated or not yet. So i want
>> to calculate the change of area per lipid and the bilayer thickness versus
>> Which tool or method should i use ?
> Extract box vectors over time from the .edr file, then use a script of
> your own creation to multiply them and divide by the number of lipids per
> leaflet. Of course, that goes out the window if there is a protein present.
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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