>
> Dear Sir,
>
first thank you so much for your reply. And my answer is no, I wasn't
trying to break the bond.I was just trying to obtain dihedral parameters
for MD simulation. I know these dihedral parameters are in gaff already but
my aim was to understand between quantum mechanical scan energy and
molecular dynamics dihedral force field parameters. After I send this
question to here, I read ATB server's article named "*An Automated force
field Topology Builder (ATB) and repository: version 1.0." *and then I
found the answer.
Thank you soo much again.
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Received on Fri May 03 2019 - 02:30:02 PDT
