On Fri, Dec 07, 2012, Jonathan Gough wrote:
> I am trying to load a complex into amber. I followed the directions as
> posted previously.
>
> >From reading the mailing archives this is supposed to be caused by the
> names in the .mol2 file not matching those in the PDB.
>
> I can't seem to see where there is a difference or why I am getting this
> error... I used the same part of the PDB to create the mol2, from what I
> can see I can't figure out what is wrong...
We need to see the entire LEaP output. Did you load gaff.dat? Exactly how
did you load the mol2 file? etc. Basically, we need to see the exact
sequence of commands given to LEaP.
...dac
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Received on Fri Dec 07 2012 - 13:30:02 PST
