temperature question in logfile

From: Cheri M Turman (Cheri.M.Turman_at_uth.tmc.edu)
Date: Tue Apr 20 2004 - 17:13:28 CDT

Hi all,
I am wondering why the TEMP column (under ENERGY) in my log files are
always 0 during the minimization steps. I also run simulated annealing
and the TEMP column in this case reads whatever values I have it running
through, so it seems to run properly here. At the beginning of the log
file in the info section, it reads initial temperature 310, which is
what I want to run the whole minimization. So, why would it not read
properly later in the TEMP column of the logfile? Is this just a
default setting for the TEMP column in the software when minimizing or
is my system really at 0K? I searched the net for other's log files and
I saw the same type of thing. They would have for example, the intitial
temperature reading 300K but the TEMP column reading were all 0K. Does
anyone have an idea?

Thanks,
Cheri

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   Cheri M. Turman
   Graduate Student
   University of Texas-Houston Medical School
    6431 Fannin
    Houston, TX 77030 USA

    e-mail: cheri.m.turman_at_uth.tmc.edu
    Ph.: 713-500-6126
    Fax: 713-500-0652


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