diff --git a/README.md b/README.md index 1572fcf32abb68390c6d133aa46c739f5ac7fea7..2364824df570371d5885556909e767105fd3e3e2 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ # Topo2 implementation into LAMMPS with external code -We model a torsionally relaxed (nicked) DNA plasmid 3.6 kbp-long as a bead-spring polymer made of 500 beads with size σ = 2.5nm = 7.3 bp and connected by finitely extensible springs and persistence length lp = 50 nm. Beads interact via a purely +We model a torsionally relaxed (nicked) DNA plasmid 7.2 kbp-long as a bead-spring polymer made of 1000 beads with bead-size σ=2.5 nm=7.3 bp and connected by finitely extensible springs and persistence length lp = 50 nm. Beads interact via a purely steric Lennard-Jones repulsion while the TopoII-bound segment is modelled as a 50 beads (L = 360 bp)-long segment displaying soft interactions with the other beads thereby allowing the TopoII-bound segment to undergo strand-crossing with a small energy penalty (2 kB T) \ No newline at end of file