Jason,
The "/" was there in the input file. When I pasted the input file in
the mail probably it was missing. I have installed amber12 tools
serial version and am running same input file to calculate gbsa and
per residue this time. But still I am getting the same error.
Reading command-line arguments and input files...
Loading and checking parameter files for compatibility...
sander found! Using sander
mmpbsa_py_energy found! Using
/home/srg/mhb75/Download/amber12/bin/mmpbsa_py_energy
cpptraj found! Using /home/srg/mhb75/Download/amber12/bin/cpptraj
Preparing trajectories for simulation...
50 frames were processed by cpptraj for use in calculation.
Beginning GB calculations with None
TypeError: iterable argument required
Exiting. All files have been retained.
I am using the input line
$AMBERHOME/bin/MMPBSA.py -O -i mmpbsa.in -o gbsa.dat -do decomp.dat
-sp solvated.prmtop -cp complex.prmtop -rp rec.prmtop -lp lig.prmtop
-y *.mdcrd
If I am eliminating &gb part from the input file the job is getting
crashed. How can I get the traceback file in order to solve the
problem?
Thanks,
mani
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Received on Mon Apr 30 2012 - 16:30:03 PDT
