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:
- Gromacs to Lammps simulation converter☆80Updated last year
- VMD plugin for manipulating topology information☆37Updated last month
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆62Updated 10 months ago
- ☆30Updated 2 years ago
- ☆44Updated 5 years ago
- ☆108Updated 2 years ago
- ☆38Updated 5 months ago
- A GROMACS implementation of the ClayFF force field☆36Updated 2 years ago
- 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
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆89Updated this week
- cp2k postprocessing tools☆68Updated last month
- Force field for ionic liquids☆65Updated last month
- Constant potential method in LAMMPS☆50Updated last year
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆50Updated last week
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆42Updated last month
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆26Updated 4 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 5 years ago
- GROMACS input files☆19Updated 2 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 8 months ago
- Tutorials on CP2K calculations☆53Updated 3 years ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated 2 months ago
- Python Cp2k interface☆95Updated 3 years ago
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆82Updated 2 weeks ago
- ☆40Updated 2 weeks ago