kolmank / interfaceff2groLinks
A python script to prepare GROMACS input files using INTERFACE forcefield
☆23Updated 3 years ago
Alternatives and similar repositories for interfaceff2gro
Users that are interested in interfaceff2gro are comparing it to the libraries listed below
Sorting:
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆33Updated 6 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆19Updated 2 years ago
- Gromacs to Lammps simulation converter☆78Updated last year
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 9 months ago
- ☆27Updated 2 years ago
- ☆66Updated 5 months ago
- python scripts useful to users of computational chemistry software☆42Updated 2 years ago
- GROMACS input files☆19Updated 2 years ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆20Updated 2 years ago
- A TCL code for the calculation of mass/number density of a system.☆17Updated 11 months ago
- A GROMACS implementation of the ClayFF force field☆35Updated 2 years ago
- VMD plugin for manipulating topology information☆36Updated last month
- Python code for learning Molecular Dynamics simulations☆53Updated 4 years ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆18Updated 2 years ago
- Gromacs Topology Files for common Ionic Liquids☆20Updated 6 months ago
- ☆12Updated 2 years ago
- Python version of the modified Seminario method code☆16Updated 4 years ago
- ☆27Updated 3 years ago
- Polarisable force field for ionic liquids☆16Updated 6 months ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆22Updated 6 years ago
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆31Updated 2 years ago
- ☆34Updated last month
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆35Updated 10 months ago
- scripts for analyzing molecular dynamics trajectories using VMD☆38Updated 10 years ago
- ☆43Updated 2 years ago
- ☆68Updated last month
- A comprehensive tool for analyzing liquid solvation structure.☆52Updated 10 months ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Updated 3 years ago