On Tue, May 19, 2020, Lod King wrote:
>*But my modified compound did have the error:*
>
>$ antechamber -i st0.mol2 -fi mol2 -o st0.prepc -fo prepc -nc -0 -c bcc -s
>2 -at gaff2
The st0.mol2 file is missing the hydrogens in the five-membered ring.
>
>*So I added "-dr no" in my antechamber, and it worked fine.*
My guess is that "worked fine" is in the eye of the beholder :-)
...dac
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Received on Tue May 19 2020 - 18:30:03 PDT
