From owner-chemistry@ccl.net Sun Nov  1 14:11:01 2020
From: "Franck Chevalier f.chevalier:+:acellera.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: ACEMD platform integrates PLUMED
Message-Id: <-54200-201101024912-25269-tbebmmuHILVqad9sG1ZvRQ**server.ccl.net>
X-Original-From: "Franck  Chevalier" <f.chevalier:-:acellera.com>
Date: Sun, 1 Nov 2020 02:49:10 -0500


Sent to CCL by: "Franck  Chevalier" [f.chevalier]=[acellera.com]
Dear colleagues,

We are proud to announce the release of ACEMD 3.3!

This new version adds key functionalities to Acelleras MD software (ACEMD Platform, see more at 
https://www.acellera.com/products/molecular-dynamics-software-gpu-acemd/#acemd_def).

One of them is the integration of PLUMED to bring state-of-the-art free energy calculation capabilities to 
ACEMD. PLUMED is an open-source library for free energy calculation, implementing several enhanced-
sampling methods, such as metadynamics, and an extensive set of collective variables.

Other changes in this release include an update to the latest OpenMM version, an improvement of the 
PRMTOP file parser, among others. Check the ACEMD documentation page for more details, including our 
new PLUMED tutorial (https://software.acellera.com/docs/latest/acemd3/tutorial.html#metadynamics-
simulation-of-alaninde-dipeptide).

Free version is available for non-profit entities.

Thanks for your interest, stay safe,

Franck