Re: [AMBER] positional restraint on crystal water

From: Dmitry Nilov <>
Date: Wed, 30 Mar 2011 13:18:17 +0400

> 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
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