harmonic restraint

From: Amit Paliwal (paliwal_at_jhu.edu)
Date: Tue Jun 15 2004 - 12:23:10 CDT

Hi ,
I am working with a small protein about 130 residues long. I have
divided it into two parts and want to keep the distance between their
center of mass within a specified range , lets say the distance can vary
2-3 angstrom. So I can easily think of applying distance constraint as
explained in the manual but what is the value of k ( bond constant) that
I should use? In the manual for a bond between two atoms, value of 10 is
deemed appropriate but here I am dealing with a body of 40-50
residues..How should one go about it?

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