I assume you have an older version of MMPBSA.py on your computer that is
being used in this case. You should not see this error if the MMPBSA.py from
AmberTools 1.5 is being executed. Make sure your MMPBSA.py files in
$AMBERHOME/bin/ are up-to-date with the AmberTools 1.5 release (with
patches) and that no older version of MMPBSA.py is interfering with your
calculation.
-Bill
On Wed, Jun 22, 2011 at 5:07 AM, Guenegou, Guillaume [ORDFR] <
GGUENEGO.its.jnj.com> wrote:
> Dear all,
>
> I am trying to run MMPBSA.py tutorial. I work with AmberTools1.5.
> But it seems &decomp does not work.
> I got the following message: Error: Unknown block, '&decomp'. Check input!
>
> I saw a previous post in amberlist about this problem in which it is asked
> to visit http://ambermd.org/tutorials/advanced/tutorial3/py_script in
> order to get the latest update of MMPBSA.py.
> But I did not find anything relevant.
>
> Thanks for any help,
> G. GUENEGOU
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Wed Jun 22 2011 - 04:00:03 PDT
