VMD-L Mailing List
From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Wed Oct 28 2015 - 20:25:55 CDT
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Hi all,
Just looking for input on how difficult it would be to adapt the fftk to work with Terachem rather than Gaussian? At a naïve glance it looks like a relatively simple case of changing the QM input files and output parsers...
Thanks,
Tristan
- Next message: Eric Schibli: "Molefacture & Six-Character Atom Types"
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- Reply: Mayne, Christopher G: "Re: fftk using Terachem?"
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