[gmx-users] First Principle Component Analysis

[Anirban Ghosh]

Hi All,
I want to do ED analysis along first principle component in GROMACS. I am trying to make the .edi file through make_edi command. But cannot understand which option to pick among -linfix. -linacc, -radfix, -radacc, -radcon. I also cannot understand how to specify the option(string) for this in the make_edi command. Please  tell me how to execute this command. Any suggestion is welcome.

Regards,


 
  Anirban Ghosh
  M.Tech Bioinformatics
  University of Hyderabad
  Hyderabad - 500 046
  Andhra Pradesh
  India

       
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