Tyrone Curtis
This is a Mathematica package which places imports data from Gromacs .top (topology) and .gro files. It was written by Edan Scriven, for more information please go here. Please note that this package was written to suit Mathematica Version 5.1, as such some commands used may be incompatible with earlier versions of Mathematica.
Important!!
In order to use this package, you must create a folder under
Mathematica AddOns/Applications called Gromacs, then save the file
below to that folder. If it is not possible to save the file
to the Mathematica Graphics folder, then when running Mathematica
notebook which utilises this package it its necessary to append the
path containing the folder Gromacs (which you have saved the file to)
to the current Mathematica Path. This may be done using the
command:
AppendTo[ $Path, "path
containing the folder Gromacs which contains the file
Gromacs.m"]
Once the file has been saved to the
Gromacs folder, the package must be loaded using the command
Needs["Gromacs`Gromacs`"]