Re: catdcd and dcdunitcell

From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Tue Jun 28 2005 - 09:14:32 CDT

Phil,

On Tuesday 28 June 2005 14:18, Philip Fowler wrote:
> I have recompiled CatDCD 3.0 from the source code and I found that
> you must specify in the makefile either the vmd 1.8 (released
> 2/14/2003) or the first set of vmd 1.8.1 plugins (released 7/3/2003)
> for the compilation to work. Newer versions will not compile.

This is, I believe, the very heart of the issue: IIRC, the ability to write
unit cell information was added to VMD's dcd plugin in a fairly recent
version.
So you have to make it compile on your system, but that should be possible.
Can you tell me more about the problems you have when compiling?

In the meantime, you might want to try the attached Linux IA32 binary.

Jerome

> But, my new shiny version of catdcd still does not retain dcdunitcell
> info in the resultant dcd files. The input dcd files do have this
> info and it can be retrieved from within VMD1.8.3 but any catdcd'ed
> dcd (with or without striding) does not (a,b,c are all set to 1.000).
>
> Does anyone have any ideas?
>
> --Phil
>
> > Hi Phil,
> >
> > I have had this problem in the past. In the end I managed to fix it
> > by recompiling CatDCD from the source code, which was (from memory)
> > available at www.ks.uiuc.edu. Why it didn't work the first time is
> > beyond me.
> >
> > Anyway, hope this helps, and good luck.
> >
> > Best regards,
> > Ben Roberts
> >
> > ---------------------------------------------------------------------
> > Benjamin P. Roberts, B.Sc.(Hons)
> > Ph.D. Student
> >
> > Department of Medicinal Chemistry
> > Victorian College of Pharmacy (Monash University)
> > 381 Royal Parade, Parkville VIC 3052, Australia
> >
> > Phone +61 3 9903 9674 | Fax +61 3 9903 9582 | Mobile +61 401 784 940
> > ---------------------------------------------------------------------

-- 
Jérôme Hénin
Equipe de Dynamique des Assemblages Membranaires
Université Henri Poincaré / CNRS
Tel : (33) 3 83 68 43 95        Fax : (33) 3 83 68 43 87
http://www.edam.uhp-nancy.fr/

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