[AMBER] Calculating Electrostatic energy between 2 atoms

From: angad sharma via AMBER <amber.ambermd.org>
Date: Mon, 13 Feb 2023 18:09:10 +0530

Dear amber users,
I want to calculate the electrostatic energy between 2 atoms. The first
atom is from DNA say .OP1 and the second atom is from solvent Mg2+ ions
from the solvent.
As in the energy command of Cpptraj, it only calculates energy for atoms in
Is there a way in cpptraj, that I can give 2 masks so that I can get
electrostatic energy between 2 atoms(as we do in rdf calculation, we give
two mask for radial distribution calculation)

*With Regards*
*Angad Sharma*

*Research Scholar*
*School of Computational & Integrative Sciences*

*Jawaharlal Nehru University*
*New Delhi 110067, (INDIA)*
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Received on Mon Feb 13 2023 - 05:00:03 PST
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