lcmd-epfl/MORESIM

Modular Replica Exchange Simulator

MORESIM

Modular Replica Exchange Simulator

MORESIM is a module that allows to set up replica exchange simulations in python.

Requirements

• Python 3.5 or later
• Anaconda 3
• Atomic Simulation Enviroment (ASE)

Installation

Add ~/moresim to your $PYTHONPATH environment variable.

Example

See tutorials for examples