Useful Links

Packages

1. First Shell SDF Calculator of any selected atom from GROMACS Trajectory:
   https://github.com/rbiswasgroup/first_shell_sdf 

Useful links

Tutorials and/or Blogs

• MD Tutorials

• LAMMPS Tutorial

• My Blog About Various Softwares

Manuscript Preparation

• How to Prepare a Manuscript?

• Writing Journal Articles

Computer Languages

• CPP Tutorial

• FORTRAN Manual

• FORTRAN Tutorial

• OpenMP Parallel FORTRAN

• Python Tutorial

Books and Related Code Banks

• Computer Simulation of Liquids

  • Related Codes

• An Introduction to Computational Physics

  • FORTRAN Codes

Molecular Dynamics Packages

• LAMMPS

• GROMACS

• NAMD

• CHARMM

• CP2K

Forcefield/topology generator

• LigParGen

• CGenFF

• ATB

• TraPPE

Molecular Modelling, Visualization and Image-Editing Software

• SAMSON

• VMD

• OVITO

• GRACE

• Photopea

N.B.: This page is particularly for the benefits of students. Please verify the content before using them for research!