AMBER Archive (2008)

Subject: AMBER: LJ parameters

From: aneesh cna (aneeshcna_at_gmail.com)
Date: Wed Apr 02 2008 - 06:46:22 CDT

Respected Users

I am using version 9 of Amber package. Is there any difference in the
Lennard Jones parameters (Sigma and Epsilon) given in other force field
like OPLS, CHARM in comparison to AMBER force field. Actually I suppose
Amber is using some multiplication factor while writing the above parameters
in the topology file. If I am right, could you please tell me that factor
and what is the reason for introducing this extra value?

Also I want to know the way leap writes these parameters in the topology
file, I mean to say what is the format for this in topology file.
Also I have noted that, amber writes many 0.0000000 values in the same
section( LJ parameters), Why?

Thanks and Regards
Aneesh

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