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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