.
> I just suppose you can run "addions" prior to "solvatebox" (I have
> never done this by myself). In this way you will be shure that you
> have N-M crystal waters where M - the number of added ions.
I mean M added ions replacing water molecules (see leap output information).
Also you can see description of addions2 command in manual.
--
Dmitry Nilov,
Faculty of Bioengineering and Bioinformatics,
Lomonosov Moscow State University
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Received on Wed Mar 30 2011 - 02:30:04 PDT
