AMBER Archive (2009)

Subject: RE: [AMBER] parameterization of protein-ligand complex

From: cc cc (
Date: Wed Sep 09 2009 - 12:44:17 CDT

> Don't do this! You want something like loadAmberPrep mylig.prepi (or, load
> a mol2 or off file). Loading the pdb file does *not* establish the data
> structures tleap needs. (For example, there are no atom types in pdb
> files...)
> ....dac

Thanks for the suggestion. I have tried it and the same atoms (ligand atoms) produced the same 'fatal' error messages.
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