VMD-L Mailing List
From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Wed Oct 28 2015 - 20:25:55 CDT
Just looking for input on how difficult it would be to adapt the fftk to work with Terachem rather than Gaussian? At a na´ve glance it looks like a relatively simple case of changing the QM input files and output parsers...