On Tue, Sep 06, 2011, Chidambar Kulkarni wrote:
> > bta = loadMol2 BTA.mol2
> Loading Mol2 file: ./BTA.mol2
> Reading MOLECULE named
^^^^^
This looks bad...the code didn't pick up the molecule name.
> > list
> gaff mods
This also looks bad: there is no "bta" entry.
How did you create the BTA.mol2 file? Compare it to a file like
$AMBERHOME/AmberTools/test/antechamber/tp/tp.mol2.save.
If you can't figure out the problem, you might post your mol2 file.
...dac
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Received on Tue Sep 06 2011 - 06:00:04 PDT
