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  • The framgent memory force in this simulation was too big (0.2), I'm repeating the simulation with a smaller force (0.01). I expect that the energy of the local interactions (RAMA+HELIX+F.M.) should contribute around 2/3 of the energy of the non-local interactions (DSSP,PAP,WATER)

Protein RMSD

Image Added

Crispr-Cas9 + DNA

Due to a mistake I didn't update the neighbor list, so it is possible to see an overlap between two domains (grey and red). The single memory force was turned off in this simulation.

Protein RMSD

Image Added

Nucleic RMSD

Image Added    

Crispr-Cas9 + RNA

Due to a mistake I didn't update the neighbor list, so it is possible to see an overlap between two domains (grey and red). The single memory force was turned off in this simulation.

Protein RMSD

Image Added

Nucleic RMSD

Image Added