tommason14 / modified_polymatic
☆12Updated 2 years ago
Alternatives and similar repositories for modified_polymatic:
Users that are interested in modified_polymatic are comparing it to the libraries listed below
- Running a molecular simulation with the polarizable force field in LAMMPS☆19Updated 2 years ago
- ☆27Updated 2 years ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Updated 3 years ago
- CmuMD implementation for PLUMED2☆16Updated last year
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆18Updated 2 years ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 8 months ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆36Updated last year
- GROMACS input files☆19Updated last year
- Gromacs Topology Files for common Ionic Liquids☆20Updated 5 months ago
- A TCL code for the calculation of mass/number density of a system.☆17Updated 10 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆13Updated 2 years ago
- MDAnalysis wrapper around Packmol☆31Updated last year
- ☆33Updated last week
- A comprehensive tool for analyzing liquid solvation structure.☆50Updated 9 months ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- 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
- VMD plugin for manipulating topology information☆36Updated last week
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆22Updated 6 years ago
- Polarisable force field for ionic liquids☆16Updated 5 months ago
- Molecular simulation toolkit☆14Updated 2 weeks ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆23Updated 3 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆18Updated 10 months ago
- Gromacs to Lammps simulation converter☆78Updated last year
- A GROMACS implementation of the ClayFF force field☆35Updated 2 years ago
- python scripts useful to users of computational chemistry software☆41Updated 2 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆19Updated 3 weeks ago
- ☆27Updated 3 years ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆21Updated 5 months ago