On Mon, Jun 08, 2009, Workalemhu Berhanu wrote:
> I am new user of amber. I created my ligand and peptide complex using
> PatchDock (Nucl. Acids. Res. 33: W363-367, 2005). When I used tleap for
> my ligand and peptide complex (which I named as solution.pdb) I got
> the errors shown below.
> COM =loadpdb "solution.pdb"
> Loading PDB file: ./solution.pdb
> (starting new molecule for chain B)
> (starting new molecule for chain D)
> (starting new molecule for chain )
> Unknown residue: MOL number: 30 type: Terminal/last
Looks like your ligand is named "MOL", and LEaP doesn't know anything about
such molecules. You will need to use antechamber to create a library file for
the ligand. See tutorial B4, plus the Users' Manual.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 10 2009 - 01:08:05 PDT
