PLUMED release 1.3 available

From: Massimiliano Bonomi (massimiliano.bonomi_at_gmail.com)
Date: Wed Nov 09 2011 - 09:05:09 CST

The PLUMED Developers Team is proud to announce that the NEW version
of PLUMED 1.3 is available at www.plumed-code.org

PLUMED is a plugin for free-energy calculations in molecular systems
that can be interfaced, through a simple patch procedure, with some of
the most popular classical and ab-initio molecular dynamics codes.
PLUMED provides easy access to umbrella sampling, metadynamics,
steered md and many other enhanced sampling and free-energy methods.

In this new release:

* New Features:
- Reconaissance Metadynamics
- Driven adiabatic free energy dynamics
- Python interface
- Function of CVs
- Tool for unbiasing well-tempered metadynamics calculations
- Projection of gradient of CVs
- Tool to perform bias-exchange simulations via linux shell with every MD engine
- New INTERVAL keyword to limit the sampling along a CV

* New Collective Variables:
- PCA
- SPRINT topological variables
- Radial and angular distribution function
- Gyration tensor based CVs

* New Supported Codes:
- Cpmd 3.15.1
- Namd 2.8
- Amber 11
- Gromacs 4.5.5
- Quantum-ESPRESSO 4.3.2
- Lammps 27-10-2011
- ACEMD 1.2

PLUMED is free software. You can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License.
For more info, please refer to the PLUMED website.

The PLUMED Developers Team

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:58 CST