Thank you again. It works beautifully.
Nevertheless, I would like to clarify one last thing after looking at the
UFF output data.
What are the functional forms of angle and torsional terms being used in
Jmol ?
I initially thought they would be similar to : http://klausmay.com/uff.pdf
but the number of parameters at Jmol output differs from it (for instance,
I
expected to find three terms for dihedrals : V, n and phi_0 but instead Jmol
outputs only two)
Jen
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