On Fri, Apr 01, 2016, Luke Presson wrote:
> The ligand was built using Chimera then further parameterized in
> antechamber with GAFF. I assumed that this created the desired
> parameters for the ligand.
Trying running a simple (gas-phase) simulation of the ligand by itself.
...dac
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Received on Sat Apr 02 2016 - 08:00:03 PDT
