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