Re: hi

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed May 18 2011 - 17:52:49 CDT

If you want to fix the x-y dimensions of your periodic cell in a constant
pressure simulation add "useConstantArea yes" to the config file.

-Jim

On Wed, 18 May 2011, Giacomo Fiorin wrote:

> 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.
>
> Giacomo
>
> 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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