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Welcome to MoSDeF Slideshow

Here we present an overview of MoSDeF Framework capabilities

mBuild

  • Build Molecules

  • Add Connectivity

  • Fill a simulation Box

Foyer

  • XML based Forcefields

  • Robust Overrides Mechanism

GMSO

View, Edit, and Save your Parameterized System

  • Supports Arbitrary Potential forms

  • Parameters stored with Units

AtomTypes BondTypes
Index O(0) Index 0
Type opls 268 Atom1 O(0)
Sigma 3.0 Å Atom2 C(1)
Charge 0.53 q r_eq 1.364 Å

Simulation Engines

Support For Common MD and MC Simulation Engines

hoomd.svg cassandra.png gomc.png
lammps.png gromacs.jpg