[Mutinf-news] Mutinf Query

[Dilraj LAMA]

Dear Chris,
           Thank you so much for your response. Ok, I am now able to  
execute the "dihedral_mutent.py" script. I used the following command.

python2.6 dihedral_mutent.py -g gcc -x $PATH/test/PHE78_1M48_MD/ -d/   
-a "yes" -o 1 -w 30 -p 0 -n 1  $PATH/PHE78.reslist -c "yes" > temp

I tested it on only "run1" subdirectory within the  
/test/PHE78_1M48_MD/ base directory.

The program ran successfully creating a set of output files. I am  
attaching an output written file "temp" with this email.

However when I ran this program, it asked for phiPHE78.xvg,  
psiPHE78,avg, chi1PHE78.xvg and chi2PHE78.xvg files to be present  
within the "run1" directory. Since only chi1 and chi2 files were  
present, I copied them to also give phi and psi files.

Is it necessary to have all Phi, Psi and Chi files for a given residue?

I am currently running my simulations and will be performing my  
analysis subsequently. I want to get used to the tool before I carry  
out real data analysis on my problem.

Best regards,
Dilraj.