[gmx-users] bilayer area questions
quantrum75 at yahoo.com
Tue Sep 13 22:33:07 CEST 2005
Dear GMX ers
I had a few questions about the lipid equilibriation.
In my previous post maybe i asked too many questions
at once :)
The most important questions i have been struggling
1) Is it normal for a lipidbilayer to EXPAND after
equilibriation? (From 5.5 by 5.4 to 7.4 to 7.8, NPT
2) How does one calculate the area per lipid ? (is it
as simple as multiply length of box x by box y and
divide by number of lipids?)
3) How do i deal with the fact that my box size is
same as original, but system has expanded, if i want
to calculate the area per lipid?
Thank you for your time and patience to help me solve
this conundrum. I have looked at the past archives and
dint find much material on this.
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