[gmx-users] question

Justin Lemkul jalemkul at vt.edu
Wed Feb 12 12:10:05 CET 2014

On 2/12/14, 3:08 AM, nafas wrote:
> Hi Justin.
> I hope you have a nice day
> I would like to simulate a peptide on the membrane  .In tutorial gromacs that simulate peptide
> KALP_15 in membrane DPPC ,you use inflate and shrink step.Do I need to do this step for my system?

Build the system however you like.  The method I used was simply one that I 
found simple to do, is very reliable, and is easily scripted.



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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