Package: plumed Version: 2.7.2-1 Architecture: amd64 Maintainer: Ansgar Esztermann Installed-Size: 30657 Depends: libc6 (>= 2.29), libgcc-s1 (>= 3.0), libgomp1 (>= 6), libstdc++6 (>= 9) Filename: ./amd64/plumed_2.7.2-1_amd64.deb Size: 4680484 MD5sum: 7fef83a03181b434c4c68ad5cc0be411 SHA1: 78c45df9d3ede27fc01015d144c4b1d71a14ae55 SHA256: 2180d6384bbaabfcf31b324040dcbed66d4b9028c56631c38f2255c9fe4460db Section: sectionName Priority: optional Description: Free energy calculations in molecular system 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.