AMBER: NTR force constant for restraint !!

From: Jiten <>
Date: Sun, 25 Jan 2004 16:37:09 +0900

To Amber Community,

I am new in doing protein MD simulations. I wish to perform MD initially cartisian restraining some of the resisdues at the biginning of the MD for about 35 ps. I am wondering how big the restraint force constant should be provided for almost no change/ least change in the catitian coordinate of the restrained residues.

Your suggestions would be highly appreciated,


N. Jiten Singh
C/O Prof. Kwang S. Kim
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399)
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Received on Sun Jan 25 2004 - 07:53:01 PST
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