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md_notes.yml
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ABIN:
site: https://github.com/PHOTOX/ABIN
notes: You can find the interface to PLUMED for this code <a href="https://github.com/PHOTOX/ABIN/blob/master/plumed.F90">here</a>.
patch: no
AceMD:
site: https://github.com/tonigi/ACEMD-PLUMED
notes: AceMD is a code authored by Toni Giorgino
patch: no
AmberTools:
site: http://ambermd.org/
notes: PLUMED can be used with the sander module from version 15 onwards
patch: no
CP2K:
site: https://www.cp2k.org/howto:install_with_plumed
notes: PLUMED has been available in CP2K since Feb 2015
patch: no
DL_POLY4:
site: ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/DOCUMENTS/USRMAN4.pdf
notes: Information on how to use and install PLUMED with DLPOLY can be found in the manual.
patch: no
ESPResSo:
site: http://davidebr.github.io/espresso/
notes: Plumed was inserted into ESPResSo by Davide Branduardi
patch: no
IPHIGENIE:
site: https://sourceforge.net/p/iphigenie/wiki/Compilation/
notes: IPhigenie is a fast and versatile MD program
patch: no
LAMMPS:
site: https://lammps.sandia.gov/doc/Build_extras.html#user-plumed-package
notes: There has been a native implementation of PLUMED in LAMMPS since Nov 2018. Details on how to use PLUMED with LAMMPS is available <a href="https://lammps.sandia.gov/doc/fix_plumed.html">here</a>
patch: no
OpenMM:
site: http://github.com/peastman/openmm-plumed
notes: To use openMM and PLUMED you need to download the openmp-plumed plugin.
patch: no
PINYMD:
site: https://github.com/TuckermanGroup/PINY/tree/plumed
notes: PINY is a code from the Tuckerman group. You can use PLUMED with PINY if you download the plumed branch.
patch: no
VNLATK:
site: https://docs.quantumwise.com/tutorials/metadynamics_with_plumed/metadynamics_with_plumed.html
notes: VNL-ATK is an MD code from quantumwise
patch: no
Yaff:
site: https://github.com/molmod/yaff/blob/master/doc/ug_sampling.rst
notes: An interface to PLUMED has been available in Yaff since Jul 2019
patch: no
ipi:
site: http://ipi-code.org/assets/pdf/manual.pdf
notes: IPi is a ring polymer molecular dynamics code (and more) from the group of Michele Ceriotti.
patch: no
gromacs:
site: patches/gromacs*
notes: To use PLUMED with gromacs you need to patch the gromacs source code as described here
patch: yes
namd:
site: patches/namd*
notes: To use PLUMED with namd you need to patch the namd source code as described here
patch: yes
qespresso:
site: patches/qespresso*
notes: To use PLUMED with qespresso you need to patch the qespresso source code as described here
patch: yes
other:
site: https://www.plumed.org/doc-master/developer-doc/html/_how_to_plumed_your_m_d.html
notes: Instructions for linking your own code with PLUMED
patch: no