[AMBER] CO atom type missing in PARMCHK.DAT

From: Casalini Tommaso <tommaso.casalini.chem.ethz.ch>
Date: Tue, 5 May 2020 18:53:42 +0000

Dear Amber users and developers,

I need to parameterize a modified amino acid, a carboxylated lysine (code: KCX).

According to ff14SB atom types, the atom type of the carbon atom of the carboxylate group should be CO.

When I run parmchk2, I see the following error message:

Atom type of CO does not shown up in PARMCHK.DAT

Is it a bug or am I doing something wrong?

I am using the new AmberTools20.

I thank you in advance for your support.


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Received on Tue May 05 2020 - 12:00:02 PDT
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