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...
| Main Authors: | , , , , , , , , , , |
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| Format: | Journal Article |
| Published: |
Elsevier
2009
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| Online Access: | http://hdl.handle.net/20.500.11937/35745 |