Perfect!
Thank you
El mié., 15 jul. 2020 a las 12:30, Dr. Anselm Horn (<anselm.horn.fau.de>)
escribió:
> Hi,
>
> > I would like to know how to calculate the number of water molecules to be
> > able to use SPLIT. In the example (
> > http://archive.ambermd.org/202002/0194.html) they state that: Water box
> 12Å
> > => Nw ~ 7000 molecules
>
> a simple way is to write out the pdb file and then count the water
> molecule entries via grep.
>
> Regards,
>
> Anselm
>
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--
*Camila*
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Received on Wed Jul 15 2020 - 09:00:05 PDT
