kolmank / interfaceff2groLinks
A python script to prepare GROMACS input files using INTERFACE forcefield
☆25Updated 3 years ago
Alternatives and similar repositories for interfaceff2gro
Users that are interested in interfaceff2gro are comparing it to the libraries listed below
Sorting:
- Running a molecular simulation with the polarizable force field in LAMMPS☆20Updated 2 years ago
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆35Updated 7 years ago
- ☆75Updated 11 months ago
- Gromacs to Lammps simulation converter☆86Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆71Updated last year
- GROMACS input files☆19Updated 2 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- python scripts useful to users of computational chemistry software☆43Updated 3 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated last week
- ☆30Updated 3 years ago
- ☆28Updated 3 years ago
- ☆16Updated 3 years ago
- Python code for learning Molecular Dynamics simulations☆53Updated 5 years ago
- code for single-ended and double-ended molecular GSM☆63Updated last month
- A simple program to solve the Eyring Equation and first/second order kinetics.☆21Updated 5 months ago
- Force field for ionic liquids☆70Updated 6 months ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated 3 weeks ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated last week
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆15Updated 10 years ago
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆33Updated 2 years ago
- Package for reading, analysis and visualization of metadynamics HILLS☆38Updated 2 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Updated 4 months ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Updated 4 years ago
- A GROMACS implementation of the ClayFF force field☆39Updated 2 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Updated 4 years ago
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- ☆50Updated 3 years ago
- ☆91Updated last month
- VMD plugin for manipulating topology information☆40Updated 6 months ago
- ☆36Updated 3 weeks ago