VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 27 1999 - 09:23:35 CDT

> I am having problems reading in a constant pressure dynamics dcd file
> generated with charmm25b1 on Irix6.5. I have tried viewing the trajectory
> in both vmd 1.3 and 1.4b1 (again, both running on Irix6.5, so there is no
> nasty endian problem).
>
> I can view the trajectory in quanta97, so I assume that the trajectory
> file is not mangled, and I can view test dcd's produced by charmm with
> vmd.
>
> Any suggestions?

Can you make the dcd file available to me so that I can try loading it
on a machine here? I'll also need your pdb or psf file to go with it.
Also, the new VMD 1.4 betas include an endian-correction feature when
reading DCD files, so the endianness issue should no longer to VMD, you
should be able to load DCD files on any machine now, regardless of
which endianness it is. The new code will print a nice little message
when it does the endian correction as an informational item, but otherwise
it should be completely transparent to the user.

If you make your DCD and psf or pdb files available via web of ftp it'll
be much easier for me to help you out. Send me a note if you can do this.

  John Stone
  vmd_at_ks.uiuc.edu 

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