Dear all,
I want to create a .frcmod for ammonia.
I am going to use the following parameters. I would like to know your
suggestions before I run the simulation.
ammonia parameters
MASS
n3 14.010
hn 1.008
BOND
n3-hn 434.000 1.010
ANGLE
hn-n3-hn 35.000 107.400
DIHE
IMPROPER
NONBON
n3 1.8750 0.1700
hn 0.6000 0.0157
Thank you
Sajeewa Dewage
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Received on Tue May 22 2012 - 16:30:03 PDT
