Re: [AMBER] cpptraj - trouble with autoimage and triclinic truncated octahedron DCD from NAMD

From: Daniel Roe <>
Date: Tue, 6 Dec 2016 15:05:52 -0500


On Fri, Dec 2, 2016 at 4:47 PM, Brian Radak <> wrote:
> I can confirm that this works as advertised. Kudos for the fast turnover!

Glad to help.

> Is there any chance that you would ever write Tcl frontend for cpptraj to
> be used in VMD (just autoimage would be fantastic)? Their pbctools package
> is pretty nice, but lacks this very desirable functionality -
> non-orthorhombic boxes for all!

Well, there's always a chance, but unfortunately I have less and less
time these days to devote to development so it's a small one. However
I really like using VMD personally, and if some enterprising soul out
there were to write a cpptraj plugin for VMD I think that would be


Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
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Received on Tue Dec 06 2016 - 12:30:02 PST
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