Dear all,
may I ask what is the explicit expression for improper terms in GAFF force
field? I found papers on GAFF force field, but I did not find explicit
expression of improper terms in any of them. I dig out the AMBER archive,
and it was said that improper dihedral terms have the same expression as
normal dihedral in GAFF. This is confusing to me, because in other polymer
FF such as CHARMM FF, there is an improper term separate from dihedral term.
For the sake of research it is better for me to make sure of the expression
than just knowing about "how to set up" in a specific MD package.
I am new to the polymer area, so please don't be surprised if I asked a
silly question.
Thank you!
best regards,
yours sincerely,
Meng
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Received on Mon Dec 16 2013 - 13:30:02 PST
