Re: [AMBER] regading no tortion terms

From: David A Case <>
Date: Tue, 4 Jan 2022 09:04:37 -0500

On Tue, Jan 04, 2022, MIRA JHAWAR wrote:

>> loadamberparams morin.frcmod
>Loading parameters: ./morin.frcmod
>Error: Could not find angle parameter: cc - oh - ca

First, this angle is not in morin.frcmod, so you should not be surprised
that it is missing.

Second, this angle makes no chemical sense: oh is an oxygen in a hydroxyl
group, so it could never be bonded to two carbon atoms. You need to check
how you created your prep file (I'd recommend using mol2 format rather than
prepc, since you can then visualize the organic molecule easily) and the
corresponding frcmod file.

....good luck....dac

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Received on Tue Jan 04 2022 - 06:30:02 PST
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