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Free energy calculations in molecular systems

PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular  focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

Source Files

Filename Size Changed Actions
1-plumed-install.patch 491 Bytes Download File
2-plumed-destdir.patch 4.09 KB Download File
3-plumed-libdir.patch 1.57 KB Download File
4-plumed-date-time.patch 683 Bytes Download File
5-plumed-leaked-buildroot.patch 538 Bytes Download File
plumed-2.1.1.tar.bz2 20.3 MB
plumed.changes 145 Bytes Download File
plumed.spec 2.67 KB Download File

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