On Mon, Jun 15, 2020, Sofia Vasilakaki wrote:
>
>I assigned atom types with antechamber and I used ff12SB.
Check the atom types you have versus those in thymine itself: is
anything different?
Is your modified thymine less planar than you would get with a similar
simulation of thymine itself?
It's still not clear how big a deviation you are seeing; nor what
happens upon minimization.
....dac
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Received on Mon Jun 15 2020 - 12:00:04 PDT
