> It's not clear how you created the "wt1mg_water.pdb" file, but it is easy
> enough to examine it to see if there are duplicate H atoms in residue 1. They
> probably won't cause any problem.
I think you will have to delete one of the duplicates before loadpdb
in order to get saveamberparm to work.
Bill
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Received on Fri Apr 23 2010 - 11:30:03 PDT
