[gmx-users] Have read the manual => How to calculate dihedral angle??????

Y. U. Sasidhar sasidhar at chem.iitb.ac.in
Wed Jul 2 08:58:32 CEST 2008


> 
> 
> what does the file angle.ndx mean?
A dihedral angle is specified by 4 atoms; I suppose the index file 
should contain list of 4 atoms corresponding to dihedral angles you want 
to calculate. Hope this helps.
Sasidhar



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