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

[Vitaly Chaban]

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
=========================