Hi All,
I am using MMPBSA.py module of AmberTool12 which is on my institute cluster for energy calculation, but getting an error?
Here is my input file:
mmpbsa.in
Input file for running PB and GB in serial
&general
endframe=50, keep_files=2,
/
&gb
igb=2, saltcon=0.100,
/
&pb
istrng=0.100,
/
/usr/local/AmberTools/bin/MMPBSA.py -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp complex_solvated.prmtop -cp complex.prmtop -rp rec.prmtop -lp lig.prmtop -y *.crdbox
Error which I am getting after running above command:
Reading command-line arguments and input files...
Loading and checking parameter files for compatibility...
mmpbsa_py_energy found! Using mmpbsa_py_energy
cpptraj found! Using cpptraj
Preparing trajectories for simulation...
OSError: [Errno 2] No such file or directory
Exiting. All files have been retained.
It would be great if someone help me in this..
Thanks
Sonu
----------------
Sonu Kumar, M.Sc
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Received on Wed Apr 11 2012 - 14:30:04 PDT
