collaborators

1 paper

cond-mat.soft2023

Asymmetric periodic boundary conditions for molecular dynamics and coarse-grained simulations of nucleic acids

Radek Erban, Yuichi Togashi

Periodic boundary conditions are commonly applied in molecular dynamics simulations in the microcanonical (NVE), canonical (NVT) and isothermal-isobaric (NpT) ensembles. In their s…