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Hi!
I have encountered several problems about Mutinf. I am now following the work you did--http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2790287/
Firstly, when i run the program create_reslist.pl ,i will get errors like
WARNING: couldn't find phiSER377.xvg
377 SER 130A
counter: 378
Looking for /home/wangqiankun/usr/test10-5//run1/phiTHR378.xvg
WARNING: couldn't find phiTHR378.xvg
378 THR 131A
counter: 379
Looking for /home/wangqiankun/usr/test10-5//run1/phiLEU379.xvg
WARNING: couldn't find phiLEU379.xvg
379 LEU 132A
counter: 380
Looking for /home/wangqiankun/usr/test10-5//run1/phiTHR380.xvg
WARNING: couldn't find phiTHR380.xvg
380 THR 133A
and i don't know what's the difference between create_reslist.pl and shell command like cat ${mypdb}.pdb | grep CA | awk '{print NR, substr($0,18,3), substr($0,23,4) substr($0,22,1)}' > temp, do they have same function?
Secondly, when running dihedral_mutent.py, it reminds that
File "/home/wangqiankun/mutinf/dihedral_mutent.py", line 4247, in <module> reslist = load_data(run_params)
File "/home/wangqiankun/mutinf/dihedral_mutent.py", line 4063,in load_data load_resfile(run_params, load_angles=False) # make sure the resfile parses correctly (but don't load angle data yet)
File "/home/wangqiankun/mutinf/dihedral_mutent.py", line 4039, in load_resfile resfile=open(rp.resfile_fn,'r')
IOError: [Errno 2] No such file or directory: 'yes'
Any little hints to this problem are highly welcome.
Regards.
QianKunwang
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