npm

votca

Toolkit for coarse-graining molecular simulations and analyzing trajectories

brewmacoslinux
Try with needOr install directly
Source

About

Versatile Object-oriented Toolkit for Coarse-graining Applications

Commands

csg_mapcsg_inversecsg_fmatchcsg_resamplecsg_dumpcsg_stat

Examples

Map atomistic trajectory to coarse-grained representation$ csg_map --trj atomistic.xtc --gro system.gro --out cg.xtc
Generate statistics from coarse-grained trajectory$ csg_stat --trj cg.xtc --gro cg.gro --out results.txt
Dump coarse-grained topology information$ csg_dump --gro system.gro --out topology.xml