/tools/DES

DES

orlandoacevedo/DES

GitHub
force-fieldsimulationtoolmolecular-dynamics
13 stars3 forksAdded February 8, 2026
summary

This repository contains OPLS-AA force field parameters designed for simulating deep eutectic solvents. It includes a tutorial for constructing a simulation box and performing molecular dynamics simulations using these parameters.

description

Deep eutectic solvent force field parameters (OPLS-DES)

topics

force-fieldchemistry

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