[gmx-users] temperature of different atom groups in the system

Vitaly Chaban vvchaban at gmail.com
Tue Jan 11 17:15:25 CET 2011

Hi all,

Is there a trick to analyze the temperatures of the atom groups if
they are not coupled separately? E.g. when the whole system is
T-coupled as the only group, can one determine the temperature
evolution for its parts?

Thank You.

Dr. Vitaly V. Chaban, Ph.D.
Department of Chemistry
University of Rochester
Rochester, New York 14627-0216
The United States of America

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