Moscito: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) No edit summary |
mNo edit summary |
||
| Line 4: | Line 4: | ||
[[Category: Materials | [[Category: Materials modelling and computer simulation codes]] | ||
Revision as of 18:59, 30 October 2007
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 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.