AMBER Archive (2004)

Subject: Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Mar 04 2004 - 07:11:45 CST

These atoms are mis-named, i.e. either delete them and let
leap replace them, or make the names in the pdb file agree
with the residue templates.

> Created a new atom named: HNCA within residue: .R<NVAL 1>
> Created a new atom named: H within residue: .R<NVAL 1>
> Created a new atom named: HG11 within residue: .R<ILE 2>
> Created a new atom named: HB1 within residue: .R<PHE 3>
> Created a new atom named: HB1 within residue: .R<TYR 5>
> Created a new atom named: HG11 within residue: .R<ILE 6>
> Created a new atom named: HB1 within residue: .R<TRP 7>
> Created a new atom named: HG11 within residue: .R<ILE 11>
> Created a new atom named: HB1 within residue: .R<PHE 12>
> Created a new atom named: HB1 within residue: .R<TYR 14>
> Created a new atom named: HG11 within residue: .R<ILE 15>
> Created a new atom named: HOCA within residue: .R<CVAL 16>
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