Re: [AMBER] Missing gaff parameters for epoxy ring

From: Chang Woon Jang <>
Date: Tue, 18 Dec 2018 17:29:23 +0000 (UTC)

Dear David A Case,

Thank you for your reply. I ran parmchk and found missing parameters. It said, however, some penalties. I am not sure that I can use these guessing parameters with penalties.

Do you have any suggestions?

Thank you.

Best regards,
CW Jang

On Tue, 12/18/18, David A Case <> wrote:

 Subject: Re: [AMBER] Missing gaff parameters for epoxy ring
 To: "Chang Woon Jang" <>, "AMBER Mailing List" <>
 Date: Tuesday, December 18, 2018, 5:21 AM
 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.
 -----Inline Attachment Follows-----

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