| Name : plumed
| |
| Version : 2.8.1
| Vendor : obs://build_opensuse_org/home:aeszter
|
| Release : lp153.1.2
| Date : 2022-11-24 11:03:24
|
| Group : Productivity/Scientific/Physics
| Source RPM : plumed-2.8.1-lp153.1.2.src.rpm
|
| Size : 9.51 MB
| |
| Packager : (none)
| |
| Summary : Free energy calculations in molecular systems
|
Description :
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.
|
RPM found in directory: /packages/linux-pbone/ftp5.gwdg.de/pub/opensuse/repositories/home:/aeszter/openSUSE_Leap_15.3/x86_64 |
