jiangj-physchem / Atif
☆16Updated 2 years ago
Alternatives and similar repositories for Atif:
Users that are interested in Atif are comparing it to the libraries listed below
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆56Updated 5 months ago
- ☆27Updated 2 weeks ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆50Updated 2 years ago
- Gromacs to Lammps simulation converter☆72Updated last year
- ☆34Updated last month
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆36Updated last year
- VMD plugin for manipulating topology information☆34Updated 3 weeks ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆22Updated 3 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Examples demonstrating how to reproduce the results in the paper.☆50Updated 2 months ago
- A GROMACS implementation of the ClayFF force field☆32Updated 2 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆23Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆22Updated last year
- A GUI program for plotting Minimal energy path on potential energy surface.☆37Updated 4 years ago
- ☆42Updated 4 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆10Updated last month
- A TCL code for the calculation of mass/number density of a system.☆16Updated 7 months ago
- GROMACS input files☆18Updated last year
- On-the-fly calculation of Transport Properties☆22Updated last year
- ☆50Updated 3 years ago
- ☆26Updated 2 years ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆21Updated 5 years ago
- ☆31Updated 2 weeks ago
- updated constant potential plugin for LAMMPS☆37Updated 2 years ago
- CmuMD implementation for PLUMED2☆15Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 months ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆25Updated 2 years ago
- This software is a general purpose classical simulation package.☆49Updated this week
- ☆39Updated 2 years ago