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Analyse molecular dynamics simulations of interfacial and confined systems.

copied from cf-post-staging / maicos

Installers

  • linux-64 v0.11.2
  • osx-64 v0.11.2
  • win-64 v0.11.2
  • noarch v0.12

conda install

To install this package run one of the following:
conda install conda-forge::maicos

Description

MAICoS is an object-oriented python toolkit for analysing the structure and dynamics of interfacial and confined fluids from molecular simulations. Combined with MDAnalysis, MAICoS can be used to extract density profiles, dielectric constants, structure factors, or transport properties from trajectories files, including LAMMPS, GROMACS, CHARMM or NAMD data. MAICoS is open source and is released under the GNU general public license v3.0.


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