[AMBER] How to have a certain number of water molecules?

From: Azade Yazdan Yar <azade.yazdanyar.gmail.com>
Date: Tue, 20 Dec 2016 16:39:07 +0100


I am trying to build several boxes which contain different residues. I
would like to have the same number of water molecules in all boxes.
Is there any easy way to do this? (the 'solvatebox' command is not very

And my second question is: Imagine I have used the 'solvatebox' command on
my residue. Is there any way to now undo this? e.g. remove the added water
molecules from the box?

Thanks for your help,
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Received on Tue Dec 20 2016 - 08:00:03 PST
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