AMBER Archive (2007)

Subject: AMBER: LJ potential

From: Steve Seibold (seibold_at_chemistry.msu.edu)
Date: Wed Jan 24 2007 - 13:44:58 CST

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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