Re: [AMBER] Missing gaff parameters for epoxy ring

From: David A Case <>
Date: Tue, 18 Dec 2018 08:21:49 -0500

On Mon, Dec 17, 2018, Chang Woon Jang wrote:
>I am trying to use tleap to generate crd and top files for "Bisphenol A
>diglycidyl ether" containing di-epoxide rings.
>When I used tleap with this structure, there are lots of errors as shown below.

Did you run parmchk2? And then load the frcmod file it creates into

That is a required part of generating gaff (or better, gaff2) parameters.


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Received on Tue Dec 18 2018 - 05:30:04 PST
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