Related and other software packages

In the following I give a brief list of other software packages that are also meant to help in constructing initial geometries. If you find that your software or a program you like is missing, do not hesitate to contact me.

• ​moltemplate Collection of python scripts to construct initial geometries for ​LAMMPS.
• ​PACKMOL specializes in packing molecules in a specific manner into defined regions of space, optimization code with several chosable constraints.
• ​Antechamber is a set of auxiliary programs to prepare MM simulations in the context of AMBER force fields.