Re: [AMBER] [LEaP] Atom does not have a type

From: David A Case <>
Date: Fri, 7 Feb 2020 18:06:13 -0500

On Fri, Feb 07, 2020, Gustavo Seabra wrote:

>This structure has at least 2 residues (LYZ and HYP) that are not present
>in the AMBER force field templates.

HYP (hydroxyproline) is a pretty standard residue, and is present in
amino12.lib and amino19.lib (which covers ff14SB and ff19SB.) It might
not be there in some other (less common) protein libraries.

You should look at the file and figure out what LYZ actually is. It's
possible that it is a neutral lysine, called LYN by Amber.


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Received on Fri Feb 07 2020 - 15:30:02 PST
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