Functionalities

1 Unique features

1.1 Polymerization reaction model

1.1.1 Chain-growth polymerization

1.1.2 Step-growth polymerization

1.1.3 Ligand exchange and chain migration reaction

1.1.4 Insertion polymerization

1.2 Anisotropic particle model

1.2.1 Janus particle model

1.2.2 Patchy particle model

1.2.3 Uniaxial and biaxial Gay-Berne model with patches

1.2.4 Hybrid chain model of isotropic particles and anisotropic particles

1.2.5 Depolymerization model

2 Unique features among GPU packages

2.1 Electrostatics model

2.1.1 Electrostatics in MD-SCF

2.1.2 Electrostatics in DPD

2.1.3 Ewald summation method, based on Non-Uniform FFTs

2.2 MD-SCF: a hybrid particle-field molecular dynamics technique

2.3 Pi-Pi interaction model

2.4 Dissipative particle dynamics with GWVV integration

2.5 Numerical potential method with spline interpolation

2.6 Multiple particle collision dynamics

2.7 Axial stretching method for measuring mechanical properties of materials

2.8 Constant Chemical Potential Molecular Dynamics

2.9 Coarse-grained three-site-per-nucleotide model of DNA

2.10 Double-time step integration method

2.11 LINCS bond constraint method

2.12 Virtual interaction site method

2.13 Integrated tempering sampling method

2.14 Many-body dissipative particle dynamics

2.15 Reverse non-equilibrium molecular dynamics

2.16 Bounce back boundary conditions for plane, sphere, and cylinder

3 Common features

3.1 Rigid body model

3.2 Size-defined particle model (with shifted LJ potential)

3.3 Particle-Particle Particle-Mesh

3.4 Brownian dynamics