Dear All,
I am trying to calculate per-residue decomposition analysis using
ambertools1.5 for protein-ligand system. I am following the exact
instruction given in the amber tutorial 3 -section 3.6
Here is the input file
Per-residue GB and decompositon
&general
endframe=50, keep_files=2,
/
&gb
igb=5, saltcon=0.100,
/
&decomp
idecomp=2, dec_verbose=3,
And I am getting the following 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/amber11/bin/mmpbsa_py_energy
cpptraj found! Using /home/srg/mhb75/Download/amber11/bin/cpptraj
Preparing trajectories for simulation...
ValueError: invalid literal for int(): EOF
Exiting. All files have been retained.
I didn't understood the error message "ValueError: invalid literal for
int()". To which value is it referring to?
Thanks,
mani
--
Manikanthan Bhavaraju
Graduate Teaching Assistant
Dept. of Chemistry
Mississippi State University
office no : 662-325-4633
MS -39762
USA.
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Received on Mon Apr 30 2012 - 14:30:03 PDT
