[gmx-users] Regarding obtaining potential energy using energy groups

Nirali Desai nirali.d.imsc14 at ahduni.edu.in
Fri Sep 13 12:20:56 CEST 2019

Dear all
I have a system with 3 protein chains A B and C. I want to calculate the
potential energy between different chains.
I created energy groups by creating a new index file.
If I calculate potential energy between  C as one group and (AB) as another
group, will it contain the potential energy of interaction between A and B

Your kind guidance in this matter is highly appreciated.

Thanking you,
Nirali Desai

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