Hello everyone,
I want to know, what energy term is represented in the last part of solute
internal energy, |solute_epot of 3D-RISM output in amber which is mentioned
as 3D-RISM. Following is the thermodynamic output sample of 3D-RISM and the
part I don't understand, I have highlighted it in bold.
--------------------------------------------------------------------------------------------------------------------------------
|3D-RISM thermodynamic data key
|solute_epot [kcal/mol] Total LJ
Coulomb Bond Angle Dihedral
H-Bond LJ-14 Coulomb-14 Restraints *3D-RISM*
--------------------------------------------------------------------------------------------------------------------------------
It will be great if someone could help me to understand this.
Thanks in advance.
Rakesh Srivastava
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India
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Received on Fri Apr 07 2017 - 22:00:02 PDT
