[gmx-users] how to solve this broken trjactory

[Mark Abraham]

Belquis Mothana wrote:
> Hello all,
> 
> I am wondering if you can help me out with this trouble. I had a full disk
> space but my calculations finished as I can see from the log file. Several
> calculation continued to run and I freed some space and the calculation
> are still running. I tried to analysis the trjactory to see how the
> calculation is doing..but trjconv and gmxcheck gives me this error:
> 
> Program trjconv, VERSION 3.3.1
> Source code file: trnio.c, line: 66
> 
> File input/output error:
> Can not determine precision of trn file
> 
> 
> Please help me out as I need to analyze these trjactories as they have
> been running for 4 weeks.

Well there's various lessons here. Whatever's been written to disk are 
the only resources you have. You can use gmxcheck to find out exactly 
what you have. Does the file have non-zero size? There may be some 
helpful information here http://wiki.gromacs.org/index.php/Doing_Restarts

Mark