[gmx-users] Question about distance restraints, energy minimization and time averaging.

Arthur Roberts aroberts99163 at yahoo.com
Sun Feb 28 19:25:24 CET 2010

Hi, all,

This is probably a very simple question.  Does time averaging apply,
when distance restraints are used during energy minimization (steepest
descent or conjugate gradient)?  Your input would be greatly

Art Roberts

Dr. Arthur Roberts, Ph.D.
University of California, San Diego
Skaggs School of Pharmacy and Pharmaceutical Sciences
9500 Gilman Drive #0703
La Jolla, CA 92093-0703

email: aroberts99163 at yahoo.com
cell: 206-850-7468

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