[gmx-users] g_clussize. strange error

[Vitaly Chaban]

Hi,

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.
Then
g_clustsize(402) -n index.ndx

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

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
adequate.

However what could the above error indicate?

Thanks.


===============================
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