Re: catdcd and dcdunitcell

From: Philip Fowler (p.w.fowler_at_qmul.ac.uk)
Date: Tue Jun 28 2005 - 07:15:36 CDT

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.

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
> ---------------------------------------------------------------------
>
>
>
>

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