VMD-L Mailing List

From: Andrew Dalke (dalke_at_mag.com)
Date: Sun Dec 07 1997 - 23:16:55 CST

Eugene Leitl asked:
> I start vmd in the xterm window. I select 'pdb and dcd' from the
> Mol->Load From Files menue, select the proper 'Structure' and
> 'Coords' files, then press the 'Load Molecule' button. The *.dcd
> file is not displayed in the Mol window:

> TAD alanin.pdb: 000 66 1 File

  It took me a while to remember what causes the problem -- you are
running on an Intel box, which is opposite endian to what the NAMD DCD
writer (run on an HP) produces.

  There is no easy solution to this problem. The DCD format is
architecture (and perhaps even compiler) dependent. DCD files
produced by NAMD on an Intel machine should be readable by VMD for
that OS, but not on machines with different binary representation.
We've not tested to see if XPLOR or CHARMM for Linux produces
trajectory files that VMD can read.

  We should add this to our FAQ and probably put some sort of error
message in the DCD reader saying it couldn't read the DCD file
correctly.

                                                Andrew
                                                dalke_at_mag.com 

---
Not speaking for the Molecular Applications Group.