Re: [AMBER] regading no tortion terms

From: David A Case <>
Date: Tue, 11 Jan 2022 09:15:37 -0500

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
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