[gmx-users] g_dist error?

[Justin A. Lemkul]

Marc Charendoff wrote:
> Hello,
> 
>       I am in the middle of analyzing the distance between two atoms of 
> a MD trajectory when I ran into the following error thus stopping at 3 
> ns of a 4 ns trajectory. What could be the issue?
> 
> Select a group: 18
> Selected 18: 'a_1899'
> Select a group: 19
> Selected 19: 'a_2498'
> trn version: GMX_trn_file (double precision)
> Reading frame       0 time    0.000   
> Back Off! I just backed up C4AHL_Y194.xvg to ./#C4AHL_Y194.xvg.1#
> Reading frame    3000 time 3000.000   
> -------------------------------------------------------
> Program g_dist, VERSION 3.3.4
> Source code file: trnio.c, line: 66
> 
> File input/output error:
> Can not determine precision of trn file
> -------------------------------------------------------
> 

Looks like your trajectory file is corrupted.  See what gmxcheck tells you, but 
it will likely come up with the same.  You may be able to parse out some usable 
frames with trjconv -b -e, but there may be a chunk of data missing as a result.

-Justin

> Thanks, Marc
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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