Re: [AMBER] Ligand has no type

From: David A Case <>
Date: Tue, 5 Nov 2013 15:15:13 -0500

On Tue, Nov 05, 2013, kanika sharma wrote:
> I used a program for docking and got a structure which I wanted to minimise
> and use further. I used leap as instructions say and looked at the file
> that said:
> Loading PDB file: ./Taar131u19+CadaverineGoVina1.pdb
> Unknown residue: LIG number: 341 type: Terminal/last
> ..relaxing end constraints to try for a dbase match
> -no luck
> Creating new UNIT for residue: LIG sequence: 342
> Created a new atom named: C1 within residue: .R<LIG 342>

Please see tutorial B4 for an introduction on how to add (more-or-less)
arbitrary organic molecules to Amber.


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Received on Tue Nov 05 2013 - 12:30:02 PST
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