How to do clustering of a dimer in gromacs based on the RMSD (distance) between chain A and chain B and also based on individual chains separately?

I have run REMD (replica exchange molecular dynamic) simulations of a dimer. I want to do 3 different types of clustering based on: 1. The RMSD (Root Mean Square Distance) between chain A and...

06 April 2022 5,985 2 View