On Mon, Jan 10, 2022, MIRA JHAWAR wrote:
>Error: Could not find angle parameter: cc - oh - ca
Anselm is correct: this problem was discussed in my earlier email.
> i have done the following things-
> antechamber -i morin_opt.mol2 -o morin.mol2
> parmchk2 -i morin.mol2 -o morin.frcmod
Your antechamber run will need to add a method to assign charges.
I'd suggest really starting from the beginning. Don't use the prepc file
you have. Don't load files like "morin-1.frcmod", unless you are sure you
know where they came from. Consider starting in a fresh directory, so there
is no chance that you will accidentally use the older files.
....good luck....dac
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Received on Tue Jan 11 2022 - 06:30:02 PST
