[AMBER] count number of solvent molecules inside the protein

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From: iccy liu <hbliu92.hotmail.com>
Date: Wed, 15 Dec 2010 23:11:24 +0000

Hi, all,

I am simulating a protein structure in water and water/organic binary solvent and have the amber trajactories now. I would like to ask if any one have experience to count the number of solvent molecular inside the protein over the simulation times from the trajactory files? It seems easy but I tried to search and couldn't find any clue. Anyone can help? Thanks a lot!

Iccy Liu

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Received on Wed Dec 15 2010 - 15:30:03 PST