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.
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Source Files
Filename | Size | Changed |
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1-make-clean.patch | 0000000284 284 Bytes | |
2-libdir.patch | 0000001490 1.46 KB | |
3-ldflags.patch | 0000000371 371 Bytes | |
debian.changelog | 0000000148 148 Bytes | |
debian.compat | 0000000002 2 Bytes | |
debian.control | 0000000763 763 Bytes | |
debian.rules | 0000003114 3.04 KB | |
debian.series | 0000000052 52 Bytes | |
plumed-2.7.2.tar.bz2 | 0002236739 2.13 MB | |
plumed-src-2.8.1.tar.bz2 | 0002440463 2.33 MB | |
plumed.changes | 0000000462 462 Bytes | |
plumed.dsc | 0000000339 339 Bytes | |
plumed.spec | 0000002859 2.79 KB |
Latest Revision
Ansgar Esztermann (aeszter)
committed
(revision 6)
- 2.8.1
Comments 0