paduagroup / tutorial-lmpLinks
Running a molecular simulation with the polarizable force field in LAMMPS
☆20Updated 2 years ago
Alternatives and similar repositories for tutorial-lmp
Users that are interested in tutorial-lmp are comparing it to the libraries listed below
Sorting:
- ☆30Updated 2 years ago
- GROMACS input files☆19Updated 2 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆24Updated 3 years ago
- Polarisable force field for ionic liquids☆16Updated 10 months 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
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 3 years ago
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆31Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆67Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆56Updated last month
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆43Updated last month
- ☆28Updated 3 years ago
- ☆14Updated 3 years ago
- ☆45Updated 5 years ago
- Force field for ionic liquids☆67Updated 3 months ago
- Convert PDB files to LAMMPS data and force field files.