[gmx-users] Calculation of Dihedral angles

[Anirban Ghosh]

Hi All,
I have a wild type protein and a mutant. I want to see whether there is any dihedral transitions occuring in the mutant. How should I calculate these dihedral properties?I used g_angle command, but it gave the error:

Fatal error:
Can only do transition, fraction or correlation
on dihedrals. Select -d

Or should I use g_dih?
Please let me know how to use these. Thanks.

Regards,


 
  Anirban Ghosh
  M.Tech Bioinformatics
  University of Hyderabad

Project Trainee
Centre For DNA Fingerprinting & Diagnostics (CDFD)
Hyderabad
India

       
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