What version of Amber are you running?
Can you set debug_printlevel=2 in the &general section of your input file
and try running again?
I suspect that the error you are seeing is a mistake I made in creating an
error message that outlines the *real* problem.
Thanks,
Jason
On Thu, Apr 16, 2015 at 3:06 AM, maryam azimzadehirani <
maryamai1988.gmail.com> wrote:
> Dear amber users,
> I am trying to run alanine scanning with MMGBSA.py. I generated all the
> complex,ligand,receptor and mutated files together but I get this error
> after running the job:
> Loading and checking parameter files for compatibility...
> mmpbsa_py_energy found! Using
> /usr/local/packages/amber12/amber12/bin/mmpbsa_py_energy
> cpptraj found! Using /usr/local/packages/amber12/amber12/bin/cpptraj
> Preparing trajectories for simulation...
> Mutating trajectories...
> *TypeError: not all arguments converted during string formatting*
> Exiting. All files have been retained.
>
> I have looked the mailing list for the similar bugs. Found this one which
> seems like a similar case to mine
> http://archive.ambermd.org/201409/0035.html since I also mutated a
> residue
> in the ligand. Just couldn’t get the final solution for the error...
> will be grateful if you advise,
> Maryam
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>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Apr 16 2015 - 07:00:02 PDT
