giorginolab / vmd_density_profileLinks
Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
☆37Updated 2 years ago
Alternatives and similar repositories for vmd_density_profile
Users that are interested in vmd_density_profile are comparing it to the libraries listed below
Sorting:
- VMD plugin for manipulating topology information☆37Updated 2 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆65Updated last year
- ☆30Updated 2 years ago
- ☆45Updated 5 years ago
- Gromacs to Lammps simulation converter☆83Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆91Updated last week
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆57Updated last month
- ☆110Updated 2 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆44Updated 2 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- GROMACS input files☆19Updated 2 years ago
- Force field for ionic liquids☆66Updated 2 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- cp2k postprocessing tools☆68Updated 2 months ago
- ☆39Updated 6 months ago
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- ☆42Updated last month
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- A GROMACS implementation of the ClayFF force field☆36Updated 2 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆28Updated 4 years ago
- CmuMD implementation for PLUMED2☆19Updated 2 years ago
- Python tools to handle CP2K output files☆39Updated last week
- ☆60Updated 4 years ago
- ☆67Updated 2 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆55Updated 3 weeks ago
- ☆60Updated 4 months ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago