[gmx-users] About Restraint on Water During NPT
jalemkul at vt.edu
Wed Feb 20 22:50:43 CET 2013
On 2/20/13 10:30 AM, vidhya sankar wrote:
> Thank you justin for your Nice reply
> As you Mailed Me
> How Could i Check My System Is constructed efficiently or Poorly?
> Can I Check Through APL?
> I Have Stopped EM After Reaching APL as follows in Area.dat for DPPC
> 0.61064642393184 0.64151430945619 0.659925830576451
> I Think The Above Values Are Reasonable
I don't have any specific ideas. Use your powers of observation based on what
you see happening. If water is leaking in significantly, there should be a
fairly obvious defect in your bilayer somewhere.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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