On Tue, Feb 13, 2018, Sivasudhan R wrote:
> Created a new atom named: CHA within residue: .R<BLA 297>
This means you have a residue named CHA in your pdb file, but no such
atom is in the BLA unit.
> Added missing heavy atom: .R<BLA 297>.A<C1 1>
This means that there is an atom namec C1 in the BLA residue, but which is
missing from your pdb file.
The upshot is that you need to have the atom names in the PDB file and in the
library must match up. You can either change the .mol2 or .off file that
defines the unit, or you can change the PDB file. This usually must be done
by hand editing of one file or another.
...good luck...dac
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Received on Tue Feb 13 2018 - 10:00:04 PST
