vdW parameters

From: Jindal Shah (jindal.shah_at_gmail.com)
Date: Wed Aug 30 2006 - 10:38:19 CDT


I was wondering if there is a way to print out the atom types and
R_min, eps parameters used by NAMD.

This is in regards to pair interaction energies I am calculating.

When I use pairInteraction energy with NAMD, the energies I get for
N of proline with carbonyl oxygen of the same proline is twice what it
should be.
The exclusion scheme is 1-3.

Thank you very much.


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