The home of the Moscito simulation software for molecular dynamics (MD) simulation. Moscito is designed for condensed phase and gas phase MD simulations of molecular aggregates. Standard molecular mechanics force-fields such as AMBER, OPLS, CHARMM and GROMOS can be employed. Simulations can be carried out in different ensembles such as NVE, NVT or NPT using the weak coupling scheme. (Smooth Particle Mesh) Ewald summation is used for long range electrostatic interactions.

References in zbMATH (referenced in 1 article )

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  1. Schmelter, Ralf; Geiger, Alfons: MD simulation of a phospholipid bilayer (2000)