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Moscito


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OS: Linux, Mac

License: Freeware, GPL





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.

Moscito is quite fast on Intel/AMD architectures since some essential code has been written in assembler.

A parallel version (MPI) of the MD code is part of the distribution.

The distribution comes with a number of tools for setting up and analysing MD simulation runs.

http://ganter.chemie.uni-dortmund.de/MOSCITO/



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