AMBER Archive (2007)

Subject: AMBER: van der waals parameters.

From: Stefano Tonzani (tonzani_at_gmail.com)
Date: Thu Mar 15 2007 - 11:52:09 CST

Hello,
is it possible to define van der Waals parameters for PAIRS of atoms instead
of having them defined for single atoms? For example, instead of

  CM 1.9080 0.0860
something like
  CM CM 1.9080 0.0860
  CM CT 2.1000 0.0960

or something similar? I tried this but of course it does not work.
I am trying to implement some sort of coarse grained model and it is
important that the nonbonded interactions are defined for atom pairs.

Thank you, 

-- 
Stefano Tonzani
Department of Chemistry
Northwestern University, 2145 Sheridan Rd., Evanston, IL. 60208-3113 USA
Phone: (847) 467 4989
Fax: (847) 467 4996
Office location: Room 4037, Center for Nanofabrication and Molecular Self
Assembly, 2190 Campus Dr.
Home Page: http://ucsu.colorado.edu/~tonzani/Newstyle/Newstyle.html>

-- 
Stefano Tonzani
Department of Chemistry
Northwestern University, 2145 Sheridan Rd., Evanston, IL. 60208-3113 USA
Phone: (847) 467 4989
Fax: (847) 467 4996
Office location: Room 4037, Center for Nanofabrication and Molecular Self
Assembly, 2190 Campus Dr.
Home Page: http://ucsu.colorado.edu/~tonzani/Newstyle/Newstyle.html

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