[gmx-users] g_clussize. strange error

Vitaly Chaban vvchaban at gmail.com
Tue Jan 20 13:30:36 CET 2009


I have a system with three kinds of particles. For this time I want to examine
possible clusters containing only two kinds of particles. My index file consists of all
the numbers of those atoms which belong to the particles of interest.
g_clustsize(402) -n index.ndx

It seems to work correctly but after reading the trajectory gives an

Program g_clustsize_402f, VERSION 4.0.2
Source code file: matio.c, line: 533

Fatal error:
Lo: 0.000000, Mid: 1.000000, Hi: 1.000000

Although nclust.xvg, maxclust.xvg, avclust.xvg are created and seem

However what could the above error indicate?


Vitaly V. Chaban, Ph.D.(ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698

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