Date: Wed, 24 Jul 2002 14:44:35 -0700
From: "David A. Case"
Subject: Re: Umbrella sampling in AMBER

On Wed, Jul 24, 2002, Pratul Agarwal wrote:

> Is "umbrella sampling" option available in AMBER's sander module? We
> are running AMBER 7.0.
>

Yes and no: you can set up a variety of constraint potentials (see section
5.9 of the users' manual). To collect statistics, you will probably have
to modify the code to dump the information you need to a file, and then
to post-process it with your own code.

..hope this helps...dac