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[http://ganter.chemie.uni-dortmund.de/MOSCITO/index.shtml Moscito], developed at the University of Dortmund, is designed for condensed phase and gas phase [[molecular dynamics]] simulations of molecular aggregates. Standard molecular mechanics | [http://ganter.chemie.uni-dortmund.de/MOSCITO/index.shtml Moscito], developed at the University of Dortmund, is designed for condensed phase and gas phase [[molecular dynamics]] simulations of molecular aggregates. Standard molecular mechanics | ||
[[Force fields |force-fields]] such as [[ | [[Force fields |force-fields]] such as [[AMBER]], [[OPLS]], [[CHARMM]] and [[GROMOS]] can be employed. Simulations can be carried out in different ensembles such as [[Microcanonical ensemble |NVE]], [[Canonical ensemble |NVT]] or NPT using the weak coupling scheme. (Smooth particle mesh) | ||
[[Ewald sum | [[Ewald sum |Ewald summation]] is used for long range electrostatic interactions. | ||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] |