./wip/packmol, Creates Initial Configurations for Molecular Dynamics Simulations

[ CVSweb ] [ Homepage ] [ RSS ] [ Required by ] [ Add to tracker ]

Branch: CURRENT, Version: v20.15.3, Package name: packmol-v20.15.3, Maintainer: pkgsrc-users

PACKMOL creates an initial point for molecular dynamics simulations by packing
molecules in defined regions of space. The packing guarantees that short range
repulsive interactions do not disrupt the simulations.


Required to run:
[lang/g95]

Required to build:
[pkgtools/cwrappers]

Master sites:

Filesize: 614.882 KB

Version history: (Expand)