[gmx-users] Problem with different version!!

[Justin A. Lemkul]

This error has been reported before.  If you search the list archive, you will 
quickly find:

http://www.gromacs.org/pipermail/gmx-users/2008-October/036966.html

It is probably better to run simulations under a single, continuous version (the 
latest that you have available).  That way you can be sure that you are not 
utilizing different features and are making use of the latest bug fixes.

-Justin

Shaghayegh Vafaei wrote:
> Hi all,
> I apologize in advance if my question has been asked before.
> I don't follow all the questions and I am sorry.
> 
> Recently I have faced problem with g_clustsize command in Gromacs.
> I've used the command as below and I've gotten the error :
> 
>> g_clustsize_d -f drg -s drg -nc nclut -mc maxclust -ac avclust -cut 0.45 -mol
> -n drg
> Reading frame       0 time    0.000   Reading file drg.tpr, VERSION 4.0 (single
> precision)
> Reading file drg.tpr, VERSION 4.0 (single precision)
> Using molecules rather than atoms. Not reading index file drg.ndx
> Last frame       2000 time 20000.000
> cmid: 1, cmax: 1, max_size: 1
> 
> Back Off! I just backed up csize.xpm to ./#csize.xpm.2#
> 
> -------------------------------------------------------
> Program g_clustsize_d, VERSION 4.0
> Source code file: matio.c, line: 533
> 
> Fatal error:
> Lo: 0.000000, Mid: 1.000000, Hi: 1.000000
> 
> I have done some part of my simulation with the last version and some part with
> the latest one. So I decided to check whether there is a problem with my new
> .tpr file. But,when I want to read my new version .tpr file with g_clustsize
> from old version, it doesn't work. This doesn't make sense for me .
> 
> I appreciate your help,
> 
> Shaqayeq
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
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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