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
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Received on Wed Nov 09 2011 - 07:30:05 PST
