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

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

• Next message: Dale l. Schruben: "ammonia to methane"
• Previous message: crazylyf: "how to ensure molecules adopt their favor orientations in SMD simulation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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.

=============================================================================
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
=============================================================================

• Next message: Dale l. Schruben: "ammonia to methane"
• Previous message: crazylyf: "how to ensure molecules adopt their favor orientations in SMD simulation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:59 CST