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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Received on Thu Apr 16 2015 - 00:30:02 PDT
