VMD-L Mailing List
From: Benjamin Kaduk (kaduk_at_mit.edu)
Date: Wed Sep 19 2012 - 09:07:18 CDT
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On Tue, 18 Sep 2012, John Keller wrote:
> I notice that there are no Q-Chem specific file formats under the VMD,
> File, New Molecule menu. Does anyone know of a workaround that would
> allow visualization of Q-Chem MD output, either as an output.out or as
> a formatted checkpoint (Test.Fchk) file?
> J. Keller, Univ of Alaska Fairbanks
We appear to have written shell scripts to parse the .out files into .xyz
trajectories. I'm unaware of any standard tool to effect the conversion.
-Ben Kaduk
- Next message: John Stone: "Re: Q-chem MD output with VMD?"
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- In reply to: John Keller: "Q-chem MD output with VMD?"
- Next in thread: John Stone: "Re: Q-chem MD output with VMD?"
- Reply: John Stone: "Re: Q-chem MD output with VMD?"
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