AMBER Archive (2004)

Subject: AMBER: NTR force constant for restraint !!

From: Jiten (jiten_at_postech.ac.kr)
Date: Sun Jan 25 2004 - 01:37:09 CST

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,

Sincerely,

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)
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
Home Page : http://www.geocities.com/njs_19

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