Strange numbers on hbnum.xvg - Hbond Analysis

[alevilla]

Hi,
It might be useful to know which version of GROMACS you are using.
see

Gromacs hbond problem - 1 frame with high number of hbonds

GROMACS version: 2023 GROMACS modification: Yes - with plumed Hi, I am trying to analyze hbonds between a molecule and a protein. The complex was generated using CHARM-GUI so there is .itp file for the molecule. I am using gromacs gmx hbond command with 2 groups I have created (the molecule with 45 atoms and the protein with around 7500 atoms). This is the exact command: “gmx_mpi hbond -f step5_1.xtc -s step5_1.tpr -n updated_index.ndx -num hb1.xvg” The times are in picoseconds, each frame…

\Alessandra