leila karami skrev 2010-12-18 15.38:
Dear Erik
thanks for your attention.
in version 4.5.1, when I use g_hbond -f .xtc -s .tpr -n .ndx -num -g
-hbn, gromacs give me only hbnum.xvg with segmentation fault.
when I use g_hbond -f .xtc -s .tpr -n .ndx -num -g, gromacs give me
only hbnum.xvg without segmentation fault.
I'd like to see the actual output too, although it may not be ncessary
if I can reproduce the error myself.
how to file a bugzilla and attach a tpr and xtc/trr? I don't know.
size of xtc file is large, how to attach this file to list?
you could upload it somewhere and post a link to it.
--
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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