SchniedersLab / forcefieldx
Force Field X - Software for Molecular Biophysics
☆20Updated this week
Alternatives and similar repositories for forcefieldx:
Users that are interested in forcefieldx are comparing it to the libraries listed below
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- ☆34Updated 7 months ago
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated 5 years ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆22Updated 10 months ago
- Analysis of non-covalent interactions in MD trajectories☆56Updated 3 months ago
- User Guide for MDAnalysis☆25Updated 2 weeks ago
- Q6 Repository -- EVB, FEP and LIE simulator.☆31Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆58Updated last year
- The App Store for VMD extensions.☆12Updated 2 years ago
- scripts for analyzing molecular dynamics trajectories using VMD☆38Updated 9 years ago
- Martini 3 small-molecule database☆59Updated 8 months ago
- ☆54Updated last year
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆31Updated last year
- GridMAT-MD membrane analysis program☆24Updated 6 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- RESP with inter- and intra-molecular constraints in Psi4.☆31Updated last year
- ☆18Updated 3 years ago
- A collections of scripts for working molecular dynamics simulations☆43Updated 11 months ago
- The MDAnalysis Toolkits Registry☆17Updated last week
- ☆64Updated last year
- Advanced toolkit for binding free energy calculations☆32Updated 3 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆45Updated 4 years ago
- Yasara plugins for Gromacs users☆26Updated last year
- Solvation Structure and Thermodynamic Mapping☆39Updated last year
- This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and an…☆16Updated last year
- Temperature generator for Replica Exchange MD simulations☆28Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆56Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Updated 5 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆60Updated 4 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆23Updated 2 months ago