[gmx-users] About Restraint on Water During NPT

[Justin Lemkul]

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

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================