NAMD-L: question about harmonic constraints

From: Margaret Shun Cheung (
Date: Sat Apr 08 2006 - 13:33:33 CDT

Dear NAMD users,

I looked up the user guide for harmonic constraints and the option is that
each assigned atom is referenced to a specific coordinate in the
"consref <file>". What should I do if I want to impose harmonic
constraints to
the center of mass of several atoms during the simulations instead (like
what SMD does to the selected SMD atoms)? I looked up selectcontrX{Y,Z}
too, but probably it's not what I was thinking for.

Please share me with your insights!
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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