Ups! yes, David's right, I'm not :-P ... hydrogen names are always a nightmare...
Matias
----- Mensaje original -----
De: "David A Case" <david.case.rutgers.edu>
Para: "AMBER Mailing List" <amber.ambermd.org>
Enviados: Jueves, 19 de Septiembre 2019 11:08:07
Asunto: Re: [AMBER] ANTECHAMBER_AC
On Thu, Sep 19, 2019, 2018808152.njau.edu.cn wrote:
>FATAL: Atom .R<NMET 1>.A<HN1 20> does not have a type.
>FATAL: Atom .R<NMET 1>.A<HN2 21> does not have a type.
>FATAL: Atom .R<NMET 1>.A<HN3 22> does not have a type.
>FATAL: Atom .R<ALA 2>.A<HN 11> does not have a type.
These mean that the PDB file you used has amide hydrogens with
non-standard names. Simplest thing to do is to edit the file, and
change "HN" to "H".
....dac
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Received on Thu Sep 19 2019 - 08:00:03 PDT
