> I do not any any charges for ligand in the top file.
> loadamberprep lig.prepi
> LIG = loadmol2 lig.mol2
I don't think the prep file is doing anything here, and that's where
you have your charges (I'm guessing there are none in the mol2).
Prep and mol2 are *alternate* forms for defining a residue template.
So either you would have your prep file correctly define the residue
name as LIG (it doesn't), or put charges in the mol2 file, and leave
out the ligand definition file you are not using.
Bill
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Received on Tue Oct 05 2010 - 20:00:02 PDT
