[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
More information about the gromacs.org_gmx-users
mailing list