The best way to do this is to use molden which can
calculate the cell size very easily.
Eric
--- eric hu <erichu_linux_at_yahoo.com> 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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Received on Thu Jul 25 2002 - 12:21:24 PDT
