From: Margaret Shun Cheung (mscheung_at_ipst.umd.edu)
Date: Thu Apr 06 2006 - 10:53:46 CDT
Dear NAMD users,
I am trying to grab a sense about temperature control parameters in NAMD.
Both "tcouple on" and "Langevin on" are related to the heat bath. Should I
use them mutually exclusively or do their parameters influence one and
another? I tried to look up the X-plor manual as suggested in the NAMD
manual, but it gave me little idea how the system works (eqns may be
useful). Please share me with your insights to this subject.
Thank you!
Sincerely,
Margaret S. Cheung,
Ph. D. Postdoctoral Fellow,
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Room 2117 Tel: (301) 405-4892
Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
University of Maryland http://glue.umd.edu/~mscheung
College Park, MD 20742-2431 email: mscheung_at_ipst.umd.edu
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