Re: [AMBER] A bug with unperturbed charge during tleap processing

From: David A Case <>
Date: Thu, 3 Aug 2017 21:07:42 -0400

On Thu, Aug 03, 2017, James Starlight wrote:

> FATAL: Atom .R<PHE 299>.A<OXT 21> does not have a type.

Amber doesn't realize that residue 299 is a terminal residue (becuase then
it would call it CPHE internally.) If 299 should be a C-terminal residue,
be sure to put a TER card after it in the input pdb file. If it is not
a C-terminal residue, then the OXT atom is out of place.


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Received on Thu Aug 03 2017 - 18:30:02 PDT
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