[Chimera-users] Molecular dynamics

Сергей Владимиров sergei.vladimirov at chemistry.msu.ru
Fri May 22 12:29:53 PDT 2020

Good day!

My name is Sergei Vladimirov, I'm a student at Moscow State University.
As far as I know, when running a molecular dynamics of ligand-protein
interaction one must use different force fields to the ligand and the
protein. There is a mm14ff to calculate interactions within a protein but
there are only two different force fields to calculate interactions within
a ligand.
I've been led into believing that the best ff for small organic ligands is
So my question is, is there any way to implement the GAFF force field into
the production of molecular dynamics?

Is there anything I'm missing? I will be awaiting your reply.

Best regards,
Sergei Vladimirov.
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