hernanchavezthielemann / GRO2LAMLinks
Gromacs to Lammps simulation converter
☆80Updated last year
Alternatives and similar repositories for GRO2LAM
Users that are interested in GRO2LAM are comparing it to the libraries listed below
Sorting:
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆62Updated 10 months ago
- ☆69Updated 6 months ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- ☆108Updated 2 years ago
- A GROMACS implementation of the ClayFF force field☆36Updated 2 years ago
- Force field for ionic liquids☆65Updated last month
- VMD plugin for manipulating topology information☆37Updated last month
- ☆30Updated 2 years ago
- cp2k postprocessing tools☆68Updated last month
- Tool to build force field input files for molecular simulation☆172Updated 4 months ago
- A... M... L...☆50Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- Constant potential method in LAMMPS☆50Updated last year
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆82Updated 2 weeks ago
- ☆44Updated 5 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- AI-enhanced computational chemistry☆95Updated last week
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆66Updated 5 months ago
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆147Updated 10 months ago
- code for single-ended and double-ended molecular GSM☆58Updated last month
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆50Updated last week
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 2 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆89Updated this week
- ☆38Updated 5 months ago
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- ☆59Updated 7 months ago
- ☆56Updated 4 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆153Updated 2 years ago