NAMD-L: question about SMDk, the force constant for SMD

From: Margaret Shun Cheung (
Date: Wed Apr 12 2006 - 23:27:27 CDT

Dear NAMD users,

I tried to pull around my molecules, but it's very tempting to try
increasing the SMDk or SMDVel so things can happen faster. I wonder what
your suggestions would be about the upper bound of SMDk or SMDVel. If I want
to use "brutal force"
to speed things up, what are the caveates I should be aware of in the
Thank you very much!

Margaret S. Cheung,
Ph. D. Postdoctoral Fellow,

Room 2117 Tel: (301) 405-4892
Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
University of Maryland
College Park, MD 20742-2431 email:

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