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☆87Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆72Updated last year
- VMD plugin for manipulating topology information☆41Updated 7 months ago
- cp2k postprocessing tools☆74Updated 3 weeks ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated 3 weeks ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆49Updated 7 months ago
- ☆30Updated 3 years ago
- Force field for ionic liquids☆70Updated 3 weeks ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆71Updated 2 months ago
- ☆45Updated 5 years ago
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- Tutorials on CP2K calculations☆60Updated 4 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆41Updated this week
- ☆39Updated 2 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A GROMACS implementation of the ClayFF force field☆41Updated 3 years ago
- ☆112Updated 3 years ago
- CmuMD implementation for PLUMED2☆20Updated 2 years ago
- ☆50Updated 2 weeks ago
- Python tools to handle CP2K output files☆46Updated this week
- ☆16Updated 3 years ago
- GROMACS input files☆19Updated 2 years ago
- Constant potential method in LAMMPS☆53Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆60Updated 3 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated 2 years ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆23Updated 5 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…☆56Updated 6 years ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20Updated 8 years ago