[gmx-users] g_helix segmentation fault grom-4.6.5

tarak karmakar tarak20489 at gmail.com
Thu Jan 16 05:46:55 CET 2014


Dear All,

Bit confused with the g_helix utility in gromacs-4.6.5.
I've simulated a membrane protein for 50 ns in gromacs-4.5.5. Now, I'm
trying to analyze properties of each of the trans-membrane helices. g_helix
in gromacs-4.5.5 seems not working properly and then I moved to
gromacs-4.6.5 tools to analyze the trajectories. While doing so,
............................................................................................
make_ndx -f topol.tpr -o TM_1.ndx

g_helix -s topol.tpr -f traj.xtc -n TM_1.ndx
...............................................................................................
for few of the helices, it is showing
...............................................................................................
There are 28 residues
There are 26 complete backbone residues (from 2 to 27)
nall=460
Reading file topol.tpr, VERSION 4.5.5 (single precision)
helix from: 6 through 23
t=0.00
Back Off! I just backed up zconf.gro to ./#zconf.gro.4#
Segmentation fault (core dumped)
..............................................................................................
However, for other helices the similar protocol is working perfectly fine.
It would be highly appreciated if anyone can comment or suggest on this
problem.

regards,
Tarak


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