On Fri, Nov 07, 2014, Ruchika Bhat wrote:
> Tried doing with mol2 file also but same error.
>
> > a= loadpdb pdb1_10854218DOCK.pdb
> Loading PDB file: ./pdb1_10854218DOCK.pdb
> Created a new atom named: OXT within residue: .R<CYS 212>
> ERROR: Comparing atoms
> .R<CYS 212>.A<C 10>,
> .R<DRG 1>.A<H 2>,
> .R<DRG 1>.A<H1 3>, and
> .R<DRG 1>.A<H2 4>
> to atoms
> .R<DRG 1>.A<C1 5>,
> .R<CYS 212>.A<C 10>,
> .R<DRG 1>.A<H2 4>, and
> .R<DRG 1>.A<H 2>
> This error may be due to faulty Connection atoms.
> !FATAL ERROR----------------------------------------
> !FATAL: In file [chirality.c], line 140
> !FATAL: Message: Atom named C1 from DRG did not match !
> !
> !ABORTING.
It looks like you may be missing a TER card between the protein and the ligand
in pdb1_10854218DOCK.pdb.
If that doesn't help, we'd need to see all the files for a small example that
illustrates the problem, and allows us to reproduce it.
....dac
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Received on Sat Nov 08 2014 - 07:30:02 PST
