[gmx-users] Extracting Energy of Individual Molecules From Energy File

Kelechi Okoroafor kvokoroa at g.syr.edu
Mon Mar 27 15:20:39 CEST 2017

Hello, All.

Please is it possible to extract the different components of energy (i.e.
Bond, Angle, Coulombic and LJ) for individual molecule from the *.edr file?

Best wishes,

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