Re: [AMBER] Creation of coordinate and topology file for protei-ligand complex

From: David A Case <>
Date: Mon, 28 Aug 2017 13:42:34 -0400

On Mon, Aug 28, 2017, Ashok Kumar wrote:

> FATAL: Atom .R<NMET 82>.A<H 20> does not have a type.

To expand on Bill's response: The hydrogens at an N-terminal residue
have names H1,H2,H3. But you have just an "H", (as if you started with
a structure where MET 82 was not at the N-terminus).

Just remove the "H" from the pdb file, and let leap build back in the
three hydrogens.


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Received on Mon Aug 28 2017 - 11:00:02 PDT
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