[AMBER] Query regarding minimization

From: Rakesh Srivastava <allahabad.21.gmail.com>
Date: Thu, 15 Mar 2018 13:07:44 +0530

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.

Thanks in advance.

Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
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Received on Thu Mar 15 2018 - 01:00:02 PDT
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