choderalab/gaff2xml — pull request #46 by leeping (2014-08-27 13:46:12+00:00)
Title: Added a script to combine multiple XML files into one.

I'm looking at the Mobley 504-molecule dataset and thought it would be helpful to contribute this script. It essentially gives you a single OpenMM XML file from several, so you can have all your small molecules residue definitions in the same place.