pair-interaction energy

From: Vani Krishna (
Date: Sun Oct 17 2004 - 17:37:18 CDT

Dear NAMD users:

If calculation of pair interaction energy is enabled ,
what exactly does the energy (non-bonded) in the log
file represent? Does it has only the inter group (eg.,
only between group1 , group2) or is there any
contribution from the intra group also? what exactly
is involved in calculation of these pair interaction
energies. for example electrostatics contribution?

Iam assuming the units of energy is still Kcal/mol. is
this right?


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