Free energy calculations in molecular systems

Edit Package plumed

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.

Refresh
Refresh
Source Files
Filename Size Changed
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's avatar Ansgar Esztermann (aeszter) committed (revision 6)
- 2.8.1
Comments 0
openSUSE Build Service is sponsored by