VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 27 1999 - 09:23:35 CDT
- Next message: Emmanuel Vamvakopoulos: "SGI problem!"
- Previous message: Guy Coates: "Problems with Charmm dcd"
- In reply to: Guy Coates: "Problems with Charmm dcd"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
> 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
-- Theoretical Biophysics Group Email: johns_at_ks.uiuc.edu Beckman Institute http://www.ks.uiuc.edu/~johns/ University of Illinois Phone: (217) 244-3349 405 N. Mathews Ave FAX: (217) 244-6078 Urbana, IL 61801, USA Unix Is Good For You!!!
- Next message: Emmanuel Vamvakopoulos: "SGI problem!"
- Previous message: Guy Coates: "Problems with Charmm dcd"
- In reply to: Guy Coates: "Problems with Charmm dcd"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]