Dear members, I wonder when to use constant force and constant velocity in pulling MD. Could you please give me cases where constant force is more preferable than constant velocity and vice versa? Thanks, 1 post - 1 participant Read full topic

GROMACS version: 2019.1 GROMACS modification: No Hello Gromacs users, Two dominant clusters (red and blue regions in the plot below) were extracted from the trajectory using rmsd clustering. I was wondering is there a command that I can use in gmx cluster to automatically generate cluster specific trajectory files? Thank you, Neena 1 post - 1 participant …