DROPPS

Distributed Rapid Operation Platform for Phase-separation Simulations

Developer: - Dr. Yiming Tang, Fudan University - Prof. Guanghong Wei, Fudan University

DROPPS is a high-performance molecular dynamics package designed for simulating liquid-liquid phase separation of biomolecules such as proteins and nucleic acids. It is implemented using OpenMM, one of the fastest MD engines available and supports CPUs, GPUs, MPI, OpenMP, and a wide range of workflows.

This documentation hub provides comprehensive information for users, developers, and contributors.

Note

The DROPPS program is still under development. The code and manuals will be updated on a daily basis.

This is a Sphinx-generated documentation site. Use the left sidebar or the sections below to navigate through major content areas.

Online Server

Name

Function

Link

Topology builder

Build topology based on sequence, all-atom structure, etc.

click

Simulation builder

Generate tpr file for simulation and/or perform the simulation

click

Configuration editor

Edit configuration of a pdb file

click

Getting Started

If you are new to DROPPS, the following pages help you begin:

User Guide

The user guide describes how to set up, run, and analyze molecular dynamics simulations with DROPPS.

User Guide

Modelling Tools

The section describes how to construct a DROPPS simulation.

Modelling Tools

Simulation Tools

The section describes how to run a DROPPS simulation.

Simulation Tools

Analysis Tools

The section describes how to analysis DROPPS trajectories.

Analysis Tools

Release Notes

The following sections track major changes in recent versions.

Releases

Community & Support

Community

Indices and Tables