Re: [AMBER] how to make statistics of solvent molecules?

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From: Albert <mailmd2011.gmail.com>
Date: Sat, 21 Jul 2012 07:07:52 +0200

于 07/20/2012 06:33 PM, Daniel Roe 写道:
> Hi,
>
> I think you can do something like this with the 'watershell' command by
> specifying 'lower 4.0' as the argument for the size of the first solvation
> shell. See the manual for more details.
>
> -Dan

HI Dan:

thank you for kind reply. I will try that.

best
Albert
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Received on Fri Jul 20 2012 - 22:30:03 PDT