[gmx-users] trjconv error

Ragothaman Yennamalli ymr79in at yahoo.co.in
Wed Apr 23 11:31:44 CEST 2008

Thanks for the mail. Well, I am using a old version specifically, even though newer versions are available. It is quite confusing since the same file is being able to be read by other tools like gmxcheck. And it is while running by gmxcheck that I get the Magic number error

--- On Wed, 23/4/08, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> From: Mark Abraham <Mark.Abraham at anu.edu.au>
> Subject: Re: [gmx-users] trjconv error
> To: "Gromacs Users" <gmx-users at gromacs.org>
> Date: Wednesday, 23 April, 2008, 11:44 AM
> Ragothaman Yennamalli wrote:
> > Hi,
> > 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 
> reason.
> 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.
> Mark
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