On Fri, Apr 29, 2016 at 11:25 AM, Arati Paudyal <apsilwal123.gmail.com>
wrote:
> HI Dan,
>
> Thanks for your reply. .crd is the coordinate file that I got from H++. I
> followed your suggestions and I am still getting errors. Can I use Parmed?
>
​cpptraj/ambpdb is typically a better choice for this kind of thing.
However, if you are satisfied with the PDB file that ParmEd returns, you
can certainly use that until the root cause of the ambpdb failure is
figured out.
All the best,
Jason
--
Jason M. Swails
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Received on Fri Apr 29 2016 - 09:00:02 PDT
