Dear AMBER users,
I want to prepare a .frcmod file for urea. The angle and respective force
constant values I have found in literature are given below :
bond angle čo (deg) Kč (kJ mol-1)
O-C-N 121.4 690
N-C-N 117.2 636
C-N-H 120.0 390
H-N-H 120.0 445
How should I proceed to convert the angle force constant values to
respective values/units suitable for AMBER ?
Thanking you..
Sincerely
Gargi Borgohain
PhD Scholar
Indian Institute of Technology, Guwahati. India
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Received on Tue Mar 19 2013 - 00:30:03 PDT
