This is an implementation of the "two-stage" model used by Maxim Imakaev in the Naumova et Al 2013 Science paper on metaphase chromatin. (Download the supplemental materials section and scroll down to the section: "Two-stage process: linear compaction - axial compression") ---- SMALL MODIFICATION ---- Unlike that study, I did not use "softened" Lennard-Jones potentials (which allow the chains to pass through each other). --- Why use moltemplate? --- Honestly, you don't need to use moltemplate to build this polymer. It is almost counter-productive to use moltemplate to build this kind of polymer because it is so simple. (The polymer has only 1 bead per atom. It just makes it more complicated to introduce all these extra files including monomer.lt, condensin.lt and system.lt, especially considering that system.lt is a complex file which is generated by a separate script.) However building the sytem using moltemplate may pay off if you replace each point-like monomer with a multi-atom molecule later on. (Right now, using moltemplate to build this system is sort of overkill. I'll post an example of building more complex models of chromatin eventually.) ---- 30-nm fiber model: ---- Anyway, the two-stage model at the end of Naumova et al Science 2013 uses the "30nm-fiber" model, whose details are (somewhat vaguely) described in the supplemental materials section. For the 10nm model, n=128000, L=200, U(alpha)=5*(1 - cos(alpha)) bond_length=1.0 (=10nm) sigma=1.0 (particle radius = 10nm) 30nm-fiber model details: "The 30nm-like fiber was modeled by increasing the volume of each monomer and the amount of DNA represented by each monomer by a factor of 4.25, while keeping other parameters the same at the monomer level." I interpret this to mean that, for the 30nm model, n=128000/4.25~=30117 (however I rounded up to 32768=2^15) L=200/4.25~=47 (however I rounded up to 51) U(alpha)=1.17647*(1 - cos(alpha)) (5/4.25=1.17647) To increase the volume by a factor o 4.25, I increase both the diameter of each bead (the "sigma" parameter), and the bond-lengths connecting them from 1.0 (corresponding to 10nm) to 4.25^(1/3)~=1.6198 (corresponding to 16.198nm).