[gmx-users] calculation of pair wise interaction energy of residues

SHAHEE ISLAM islamshahee at gmail.com
Tue Apr 16 07:51:31 CEST 2019

Is it possible to calculate pair wise interaction energy of each residue.
My protein consist of 129 residue. Because if i mention each residue as a
group in mdp file then i will get a huge number of data. Which is very
difficult to handle.
Can anyone please suggest me how i can do this.
Thanking you

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