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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