PYGAMD
stable

General introduction

  • Introduction
  • Installation
  • Usage
  • Units

Modules (NUMBA)

  • System info
  • Application
  • Force field
  • Integration
  • Modules

Modules (CUDA)

  • Data
  • System
  • Application
  • Force field
    • Short range non-bonded interactions
    • Bonded interactions
      • Bond stretching
      • Angle bending
      • Dihedral torsion
    • Numerical interaction
    • Coulomb interaction
    • Read force parameters
  • Integration
  • Constraint
  • External field
  • Modules

Plug-Ins

  • molgen
  • dataTackle

Announcement

  • License
PYGAMD
  • Force field
  • Bonded interactions
  • Edit on GitHub

Bonded interactions

  • Bond stretching
    • Harmonic bond potential
      • BondForceHarmonic
    • FENE bond potential
      • BondForceFENE
    • Polynominal bond potential
      • BondForcePolynomial
    • Morse bond potential
      • BondForceMorse
  • Angle bending
    • Harmonic angle potential
      • AngleForceHarmonic
    • Harmonic cosine angle potential
      • AngleForceHarmonicCos
    • Cosine angle potential
      • AngleForceCos
    • LnExp angle potential
      • AngleForceLnExp
  • Dihedral torsion
    • Harmonic dihedral potential (proper)
      • DihedralForceHarmonic
    • Harmonic dihedral potential (improper)
      • DihedralForceHarmonic
    • OPLS dihedral potential (proper)
      • DihedralForceOPLSCosine
    • Ryckaert-Bellemans potential (proper)
      • DihedralForceRyckaertBellemans
    • Amber potential (proper and improper)
      • DihedralForceAmberCosine
Previous Next

© Copyright 2021-2022, You-Liang Zhu and Zhong-Yuan Lu, ylzhu@pygamd.com. Revision 05e7da44.

Built with Sphinx using a theme provided by Read the Docs.