From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed May 18 2011 - 10:28:48 CDT
Hello Kanchi, if you're using NVT, your area should be constant by
definition, so you can't possibly have problems there.
If you use NPT, that can be tricky with charmm 2.7 lipids because you need
to treat x and y (the membrane plane) differently from z (transmembrane
axis). You should switch to the newer c36 lipids, or use constant area
coupling with pressure only along z (NAPzT). If you search a bit more the
messages on this list, you'll find plenty more information.
On Wed, May 18, 2011 at 4:43 AM, kanchi subbarao rao <ksubbu85_at_gmail.com>wrote:
> hi all
> i am new namd user. i am running simulation of dppc-bilayer by using
> charm-27 force field. i am facing a problem how to maintain constant area
> per lipid while running simulation in NPT and NVT ensembles.
> thanking you
> subbarao kanchi.
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