[Xplor-nih] xplor-nih trajectories

[Charles at Schwieters.org]

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Hello David--

> I've been trying to read some xplor-nih (2.16.0) md trajectories (binary
> dcd) into vmd or vmd-xplor and have been getting errors when vmd tries
> to parse the header.  I noticed that the first header block size has
> changed from xplor 3.851 or cns 1.2, and am wondering if that's the
> problem.  Has anyone else had problems loading dcd's from v2.16.0 into
> vmd?  (trajectories generated by xplor 3.851 and cns 1.2 load fine).

I suspect that you generated the dcd file using the AMD64 binary, but
are using a 32-bit version of VMD or VMD-XPLOR to read it (and there is
not yet a 64-bit version of VMD-XPLOR). Since this is a binary format,
you must write and read the DCD using the same platform. It is actually
possible to run the 32-bit version of Xplor-NIH on an AMD64. Please
inquire if you need help getting this to work.

best regards--
Charles
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