[gmx-users] Dihedral force constants

Dr. Ayan Datta spad at iacs.res.in
Thu Feb 20 04:48:58 CET 2014

I was trying to find the dihedral force
constants for few typical bonds like C-C-C-C or C-C-C-N etc. (linear) etc.
in kcal/mol/deg^2 or kcal/mol/rad^2.

Do you know a quick reference where few of these values are reported for
typical systems.

Also, are the dihedral force constants known for some Silicon - Carbon


Dr. Ayan Datta
Assistant Professor
Department of Spectroscopy
Indian Association for the Cultivation of Science
2A & 2B Raja Subodh Mallick Road
Jadavpur, Kolkata - 700032
West Bengal, India.

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