Hi,
Upgrade to 4.5.x and see if the problem persists. I've hacked g_hbond
quite a bit since 4.0.5.
Erik
leila karami skrev 2010-12-18 14.02:
Dear gromacs users
I'm using gromacs 4.0.5. with following command:
g_hbond -f .xtc -s .tpr -n .ndx -num -g -hbn.
my system contains protein, dna and water.
when I use above command for protein and dna, there is no problem.
segmentation fault is only for protein and water.
--
Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
--
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
er...@xray.bmc.uu.se http://folding.bmc.uu.se/
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