AMBER: united atoms

From: <>
Date: Tue, 28 Mar 2006 12:04:53 +0100


Is it possible to incorporate united atoms in minimisation studies using
sander/Amber8? if so, at what stage would this be incorporated in the prep
files? I have read that leap doesn't handle united atoms?! also read that,
parm91X.dat needs to be included in the parm directory!

final question, is Nmode/Amber8 compatible with the use of united atoms?

Thank you in advance.

Nadia Vahdati

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Received on Sun Apr 02 2006 - 06:10:08 PDT
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