giorginolab / vmd_density_profile
Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
☆35Updated last year
Related projects ⓘ
Alternatives and complementary repositories for vmd_density_profile
- Gromacs to Lammps simulation converter☆69Updated 11 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆51Updated 3 months ago
- VMD plugin for manipulating topology information☆31Updated last year
- CmuMD implementation for PLUMED2☆14Updated last year
- A TCL code for the calculation of mass/number density of a system.☆16Updated 5 months ago
- ☆24Updated last year
- ☆39Updated 4 years ago
- A GROMACS implementation of the ClayFF force field☆31Updated last year
- Training code used to optimize reaxff force field (via LAMMPS)☆18Updated 7 years ago
- ☆48Updated 3 years ago
- Force field for ionic liquids☆55Updated 3 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆35Updated last week
- ☆59Updated this week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆47Updated 6 years ago
- ☆32Updated 3 weeks ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆37Updated this week
- updated constant potential plugin for LAMMPS☆36Updated last year
- GROMACS input files☆15Updated last year
- ☆15Updated last month
- A GUI program for plotting Minimal energy path on potential energy surface.☆34Updated 3 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆40Updated last month
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆50Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆34Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆46Updated 2 months ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆19Updated 2 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆46Updated 10 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆12Updated 5 years ago
- Python library for generation of MOFs, COFs, Zeolites...☆27Updated 3 years ago
- cp2k postprocessing tools☆60Updated 2 weeks ago