Hi,
I'm not sure if I understand exactly what you meen, but since there's no
time propagation during energy minimization, time-averages don't make
much sense.
Erik
Arthur Roberts skrev:
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
appreciated.
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: [email protected]
cell: 206-850-7468
skype=aroberts92122
--
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
[email protected] http://xray.bmc.uu.se/molbiophys
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