Hello!<br><br>I have a .pdb structure:<br><br>H2N-CH2-COOH<br><br> H<br> |<br>H-N-C-C-O-H<br> | | "<br> H H O<br><br>and want to calculate 2 dihedral angles:<br><br>H-N-C-C<br><br>and<br><br>N-C-C-O
<br><br>I have a .trr file and a .tpr file. Can I calculate those two dihedrals as a function of time using GROMACS?<br><br>Thank you very much in advance!<br><br>Yours Sincerely,<br>Nikaustr