Re: [AMBER] Query regarding minimization

From: David A Case <>
Date: Thu, 15 Mar 2018 07:50:02 -0400

On Thu, Mar 15, 2018, Rakesh Srivastava wrote:

> Hello, I want to know that whether is it possible to mention the energy
> gradient value up to which minimization process to be performed, prior to
> starting minimization process. I do not want to run minimization process
> for fixed number of cycles in advance.

Please see the drms input parameter. Generally, energy miminization
options are discussed in Section 17.6.5 of the Amber 2017 Reference


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Received on Thu Mar 15 2018 - 05:00:02 PDT
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