From: Ackad, Edward (
Date: Wed Jan 15 2020 - 13:23:09 CST

Hi all,
I'm trying to write a python script with minimal dependencies and that uses namdEneriy to calculate the energy of a dcd file. Is there a better way than externally calling vmd to load the psf+dcd and call namdEnergy from within vmd?


Edward Ackad, Ph.D<>
Associate Professor of Physics
Computational Nanophotonics
Southern Illinois University Edwardsville
(618) 650-2390