From: pxq ÅÓÑ©ÇÛ (pxq_at_dicp.ac.cn)
Date: Wed Aug 12 2009 - 02:21:23 CDT
Hello everyone,
I am trying to add water molecular to a trans-membrane-protein system, the question is can we control the total number and distribution of the solvate molecular (the water molecular to be added) with WMD. (Say, I want to add 5 water/lipid within 5A of the P atom)
Any suggestion is greatly welcomed
Best wishes
Xueqin
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Pang Xueqin
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences.
Tel: +86-411-84379352 Fax: +86-411-84675584
E-mail: pxq_at_dicp.ac.cn
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