Date: Thu, 25 Jul 2002 12:21:24 -0700 (PDT)
From: eric hu
Subject: Re: water box size

The best way to do this is to use molden which can
calculate the cell size very easily.

Eric
--- eric hu wrote:
> hi, if I want to solvate my entire system, how can I
> figure out the best water box which is big enough to
> cover all the solute atoms but does not contain too
> many extra water molecules? Thanks!
>
> Eric
>
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