Re: [AMBER] SPLIT method doubt

From: Dr. Anselm Horn <>
Date: Wed, 15 Jul 2020 17:30:37 +0200


> I would like to know how to calculate the number of water molecules to be
> able to use SPLIT. In the example (
> 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.



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Received on Wed Jul 15 2020 - 09:00:03 PDT
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