Mutations - Molecular Dynamics

From: William Wei <>
Date: Thu 16 May 2002 18:11:36 -0500

Hi, Amber lovers:

After I did long time dynamics simulation using sander, I want to know the
features on the same protease but one mutated residue on it. Is there a
simple way to get the features without doing another dynamics simulation?
(It took me about 2 months)

A related issue: If I perform MD simulation on two or more proteases all of
which are obtained by a single mutation from the original one, is there a
simple way to do that? For what I want to know is the movement of backbone,
I think CMC/MD is not the right program I want. Any suggestion and reply is
helpful for me. Thanks.

Received on Thu May 16 2002 - 16:11:36 PDT
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