[gmx-users] Dihedral angles

[Mykola Rozhok]

Hello!

I have a .pdb structure:

H2N-CH2-COOH

      H
       |
H-N-C-C-O-H
    |  |   "
   H H O

and want to calculate 2 dihedral angles:

H-N-C-C

and

N-C-C-O

I have a .trr file and a .tpr file. Can I calculate those two dihedrals as a
function of time using GROMACS?

Thank you very much in advance!

Yours Sincerely,
Nikaustr
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