can we control the number and distribution of solvate molecular

From: pxq 庞雪芹 (pxq_at_dicp.ac.cn)
Date: Wed Aug 12 2009 - 02:21:23 CDT

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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

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