When you define the option -ref, it could be useful to use other options besides a frame with the trajectory. For example, if I perform 3 replicas of my simulation, I would like to cluster poses from one trajectory taking as reference a specific pose from the others.
so I hope you can extent the option -ref to other .gro or .pdb
When you define the option -ref, it could be useful to use other options besides a frame with the trajectory. For example, if I perform 3 replicas of my simulation, I would like to cluster poses from one trajectory taking as reference a specific pose from the others.
so I hope you can extent the option -ref to other .gro or .pdb