From: Jindal Shah (jindal.shah_at_gmail.com)
Date: Wed Aug 30 2006 - 10:38:19 CDT
Hello,
I was wondering if there is a way to print out the atom types and
corresponding
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.
Jindal
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