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MKiesel's Projects

carbonff icon carbonff

Gromacs forcefield for demonstration purposes

clustercode icon clustercode

The aim of this project is to get a common code base for the analysis of MD trajectories within the MSE group.

sdk icon sdk

Spica forcefield parameters for the simulation of SDS and sodium chloride

surfcoverage icon surfcoverage

Workflow for surface tension to surface coverage isotherms

wo_pmf icon wo_pmf

Workflow to calculate free energy of transfer for an alkane molecule between alkane and water phase.

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