From: Eric Peterson (eric_at_caltech.edu)
Date: Thu Jan 20 2005 - 17:43:49 CST
I've tried using the pair interaction feature in NAMD, but although the NAMD
manual claims on page 98 that the force *and* energy is calculated for the
selected atoms for each DCD frame I am only getting a force in the log. I
was sort of expecting some extra columns to show up in the energy output as
well... Does anyone know more about getting interaction *energies* from NAMD
with this feature?
Eric
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