[gmx-users] How to generate .ndx file

[Anton Feenstra]

Kirti Patel wrote:

> Dear All,
> 
> I want to calculate certain dihedral angles in a set of 100 pdb files (same dihedrals in all
> pdbs). For this can I generate a .ndx file which could be given as an input to the g_angle.

Yes.

It should look like:

[ dihedral ]
1 2 3 4

Where '1 2 3 4' should be the numbers of the atoms in the dihedral of 
your choice.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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