Hi,
I see that the Lennard Jones parameters for the N & H atoms in ammonia,
represented by opls_127 and opls_128 in the file ffoplsaanb.itp are:
opls_127 NT 7 14.00670 -1.020 A 3.42000e-01 7.11280e-01
opls_128 H 1 1.00800 0.340 A 0.00000e+00
0.00000e+00
Why are sigma and epsilon both zero for H? Are the LJ parameters for H
embedded in the parameter for NT? If so, how were these parameters combined?
Thanks.
Darrell
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