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 - 19:30:03 PST
