PME_optimization

This project contains a custom version of the GROMACS molecular dynamics software package that helps users to choose parameters for the PME electrostatics model which produce a known error in the PME approximation for minimal computational cost.

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

Follow PME_optimization

PME_optimization Web Site

Other Useful Business Software

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Rate This Project

User Reviews

Be the first to post a review of PME_optimization!

Additional Project Details

Operating Systems

Linux

Intended Audience

Advanced End Users

Programming Language

C, Perl

Related Categories

Perl Chemistry Software, C Chemistry Software

Registered

2010-04-07

Similar Business Software

SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

See Software
QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
LabWare LIMS

14,000 laboratories. 125 countries. 98% customer satisfaction! Improve your lab's productivity, throughput, efficiency, data integrity, and compliance with LabWare's suite of laboratory automation solutions. LabWare offers flexible deployment options. Laboratories who are eager to deploy...

See Software
Vertere Inventory Manager

Vertére’s Inventory Manager is a comprehensive lab management system built for Chemical Inventory, Biological Inventory, Equipment Tracking, Stockroom Management, and SDS Management. With barcode integration, tracking, transferring, and disposing of containers is quick, accurate, and...

See Software
Avogadro

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free,...

See Software