Dear amber users:
I did a simulation for an ammonia solvated in water. In the GAFF
database, I found 113.6 is used as the equilibrium angle(hn-n3-hn). In a
recent paper, people use crystal structure angle (106.7) as eq. value.
Could anyone give some comments about it? The difference is not small.
Best,
Lishan
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Received on Thu May 20 2004 - 22:53:00 PDT
