> 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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Received on Mon Sep 14 2009 - 13:38:26 PDT
