On Fri, Sep 04, 2015, Aronica, Pietro wrote:
> ERROR: Comparing atoms
> .R<VXI 1>.A<NE 14>,
> .R<VXI 1>.A<HZ1 17>,
> .R<VXI 1>.A<HZ2 18>, and
> .R<VXI 1>.A<HZ3 19>
> to atoms
> .R<VXI 1>.A<NH1 20>,
> .R<VXI 1>.A<NE 14>,
> .R<VXI 1>.A<HZ3 19>, and
> .R<VXI 1>.A<HZ1 17>
> This error may be due to faulty Connection atoms.
What happens if you load the residue as a PDB file (with no connectivity),
use the "bondbydistance" command, and save as an off or mol2 file?
If this doesn't help, I think we would need to know details about how you
constructed the residue. At least, the actual structure files, rather than
just a description in words.
....dac
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Received on Sat Sep 05 2015 - 09:30:03 PDT
