AMBER: LJ potential

From: Steve Seibold <>
Date: Wed, 24 Jan 2007 14:44:58 -0500

Hello Amber

I am using AMBER8 and I am attempting to "mimic" a covalent bond between
two atoms (not creating new atom types). I am using nmr restraints
(NMROPT>1), but I believe this is similar to NTR=1 in the sense that
they are positional restraints using external force. Correct? Is there a
way to use a LJ potential (make the well deeper; episilon factor
greater?) Is this the &wt=ATTRACT weight term?

Any info would be appreciated.


Cheers, Steve



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Received on Sun Jan 28 2007 - 06:07:10 PST
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