votca

  • About: VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge and exciton transport in disordered semiconductors. Its C++ core is interfaced to bash and perl flow-control scripts
  • Category: Molecular Biology
  • URL: http://votca.org
module (bold = default) build dependencies
votca/b1 gsl/1.16/b1 boost/1.61.0/b1 gromacs/5.1.3/b1
votca/b2 sqlite/3080403/b2 expat/2.0.1 gsl/2.4/b1 boost/1.61.0/b2 gromacs/2016.3/b1 libxc/2.2.3

also see Using Software.