GROMACS version:2022.1
GROMACS modification: no
why ligand protein is behaving this way?
Looks like periodic shifts, where the ligand or protein “wraps around” the simulation box. You need to preprocess the trajectory with -pbc nojump.
GROMACS version:2022.1
GROMACS modification: no
why ligand protein is behaving this way?
Looks like periodic shifts, where the ligand or protein “wraps around” the simulation box. You need to preprocess the trajectory with -pbc nojump.