PLUMED: a portable plugin for free-energy calculations with molecular dynamics

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PLUMED: a portable plugin for free-energy calculations with molecular dynamics

Here we present a program aimed at free-energy calculations in molecular systems. It consists of aseries of routines that can be interfaced with the most popular classical molecular dynamics (MD) codes through a simple patching procedure. This leaves the possibility for the user to exploit many diff...

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Bibliographic Details
Main Authors:	Bonomi, M., Branduardi, D., Bussi, G., Camilloni, C., Provasi, D., Raiteri, Paolo, Donadio, D., Marinelli, F., Pietrucci, F., Broglia, R., Parrinello, M.
Format:	Journal Article
Published:	Elsevier 2009
Online Access:	http://hdl.handle.net/20.500.11937/35745

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