Hello,
I noticed that in the force field file, in dihedral angle part, for example,
there are entries like:
X - CT - OS - X 3 1.15 0.0 3.
CT - CT - OS - CT 1 0.383 0.0 -3.
CT - CT - OS - CT 1 0.1 180.0 2.
So, when assign the parameters to dihedral angle CT - CT - OS - CT to
calculate the energy, are all three entries used or just the latter two
used? Thank you.
Harry . ucf
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Received on Wed Sep 17 2008 - 03:07:51 PDT
