On Wed, Jul 17, 2019, Sadaf Rani wrote:
>antechamber -i floB.mol2 -fi pdb -o floB.com -fo gcrt
First, use "-fi mol2" since your input file is mol2, not pdb.
Second, consider the messages from acdoctor, but if you are convinced
your structure is correct, add "-dr no" to turn off the acdoctor checks.
With those changes, I get a floB.com file that looks OK (didn't actually
run it with Gaussian, however.)
....dac
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Received on Thu Jul 18 2019 - 05:30:05 PDT
