[gmx-users] g_sham segmentation fault

Soumya Lipsa Rath soumyalipsabt at gmail.com
Sun Jun 8 12:40:42 CEST 2014


Dear Users,

I am trying to make a free energy plot using g_sham utility of gromacs. I
have 100000 data points. I am getting the energ.xvg file when I run the
utility with my reaction coordinates. However, when I include the weights,
it shows segmentation fault. I tried reducing the points to 10, 100 and
1000 it ran okay, but from 10000 and above it displays the error.
What should I do so that all my data points and the corresponding energy
weights are read?

Thanks,
Soumya


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