One less CMAP torsion
When a cyclic peptide is passed, the last residue's CMAP torsion is not generated by pdb2gmx
GROMACS version : 2021.4 installed via docker
Hi. when I process a cyclic peptide with pdb2gmx, I get a topology file with correct number of bond, pair, angle, and dihedral parameters, but get an incorrect number of CMAP parameter.
I used to preprare the cyclic peptide's topology with my custom python script (https://github.com/kimjc95/gmx_cyclizer.py).
Comparing the results from my script and pdb2gmx of ver.2021, the only difference was the last residue's CMAP torsion missing.
I think this issue is really easy to fix, so I hope this to be fixed in the future update!
Thanks for your hard work.