Daer AMBER Users,
I am trying to generate an .frcmod file for a particular urea model. For
that model *angle force constant* (i.e. k for angle O-C-N ) value is found
to be 690 kj/mol in the literature. But to fit in AMBER format the unit
should be in kcal/mol/degree square. What are the conversion rules to
obtain the AMBER format?
Looking forward for your kind suggestion.
With best regards
Gargi Borgohain
PhD Scholar
IIT Guwahati
INDIA
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Received on Wed Feb 26 2014 - 22:30:03 PST
