Thank you for you information, I run pdb4amber with the --nohyd option to remove
all the hydrogen atoms and it was a success.
Best regards
Saludos
LETL
> Date: Thu, 21 Jan 2016 22:03:06 -0500
> From: david.case.rutgers.edu
> To: amber.ambermd.org
> Subject: Re: [AMBER] Problem with Tleap
>
> On Fri, Jan 22, 2016, Luis Esteban wrote:
> >
> > FATAL: Atom .R<NASN 1>.A<H 17> does not have a type.
> > FATAL: Atom .R<NASN 1>.A<HB1 18> does not have a type.
> > FATAL: Atom .R<GLU 2>.A<HB1 16> does not have a type.
> > FATAL: Atom .R<GLU 2>.A<HG1 17> does not have a type.
> > FATAL: Atom .R<PHE 3>.A<HB1 21> does not have a type.
> > FATAL: Atom .R<SER 4>.A<HB1 12> does not have a type.
>
> etc.
>
> The previous replies all look wrong to me :-)
>
> Your pdb file has atom names for hydrogens that are very old (so called
> version 2 of the PDB format, which was retired many years ago.) The
> simplest thing to do is to run pdb4amber with the --nohyd option to remove
> all the hydrogen atoms. LEaP will then rebuild them with the correct names.
>
> ...hope this helps....dac
>
>
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Received on Thu Jan 21 2016 - 21:30:03 PST
