Hi Bryan, this looks good to me. I pushed one more commit - let me know if it's ok for you, then I'll go ahead and merge. For the energy tool, we provide the option to produce an output either in XVG or in TSV/tabular format (the latter is a bit more flexible for use with other Galaxy tools), so I added it as a macro so we can use it for this tool as well.
Hi Bryan, this looks good to me. I pushed one more commit - let me know if it's ok for you, then I'll go ahead and merge. For the energy tool, we provide the option to produce an output either in XVG or in TSV/tabular format (the latter is a bit more flexible for use with other Galaxy tools), so I added it as a macro so we can use it for this tool as well.