[gmx-users] trjconv error
Mark.Abraham at anu.edu.au
Wed Apr 23 08:14:57 CEST 2008
Ragothaman Yennamalli wrote:
> Sorry for not replying immediately.
> Gromacs ver 3.2.1
> OS is Red hat enterprise 4
> Initially I had tried reading the file from an external hard disk and now I copied it to another system and tried again. Still the same error.
> The reason why I was truncating was due to a magic number error I got while reading the trajectory.
> "Fatal error: Magic Number Error in XTC file (read 0, should be 1995)"
> So, I was truncating it at an earlier time from where I didnt see any errors.
Dunno. 3.2.1 is a very old version - you should be planning your upgrade
to version 4 as soon as it's out, unless you need compatibility for some
Otherwise the only reason I can think that gmxdump might succeed where
trjconv doesn't is that it isn't actually an XTC file, but some other
format with an .xtc extension.
Try to replicate your problem with a small simulation. If you can, then
you probably have a real issue, but this is very unlikely. If you can't
replicate it, then it seems you've probably mangled something and we
can't help you.
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