On Mon, 2015-03-02 at 19:50 +0000, Shukla, Saurabh wrote:
> Hi Jason.
> I have tried ParmEd with my files. But it shoeing me the following error.
> Any idea what is possibly wrong?
>
> Action chamber failed
> ChamberError: Problem assigning parameters to PSF: Missing bond type for
> <Bond <Atom FE1 [8937]; In F4O 578>--<Atom NE2 [1434]; In HSD 93>;
> type=None>
This error tells you exactly what's wrong. There is no bond type
defined between atoms FE1 (type 8937) and NE2 (type 1434) in any of your
CHARMM parameter files.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Mar 02 2015 - 12:30:02 PST
