Dear amber users
I am trying to use amber 9 to simulate a organic molecule in
acetonitrile. Since ntb requires the box info in the topology file, I
wonder if there is a way to treat acetonitrile as a solvent and use
solvatebox command to add in the topology file in leap. Thanks.
Eric
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Received on Sun Aug 13 2006 - 06:07:03 PDT
