for your suggestions on Pressure Control of transmembrane protein (GPCR)

From: ѩ Pang Xueqin (pxq_at_dicp.ac.cn)
Date: Wed Apr 07 2010 - 03:30:20 CDT

Hello everyone,

I am doing molecular simulation on a trans-membrane protein (GPCR). Do you have any suggestions on how to choose pressure control, should I use "useFlexibleCell" or " useConstantArea" ? And how can we choose it according to my protein and molecular dynamics system?

Any suggestion is greatly appreciated.

Thanks so much for the time.

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Pang Xueqin
State Key Laboratory of Molecular Reaction Dynamics (SKLMRD),
Dalian Institute of Chemical Physics(DICP)
Chinese Academy of Sciences(CAS).
Tel: 0411-84379352 Fax: 0411-84675584
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