Erik Marklund skrev 2010-12-18 21.15:
leila karami skrev 2010-12-18 16.52:
Dear Erik
there are several hb->per->pHist in gmx_hbond.c.
please say me exactly in which part of the gmx_hbond.c file
if-statement should be placed?
If I install gromacs 4.5.2 or 4.5.3, is there not this problem
(segmentation fault)?
Sorry, forgot to answer this one.
I could have a look, but so could you. I would *think* that 4.5.3 is ok
in this respect. If you checkout the release-4-5-patches from
git.gromacs.org you're definitely safe.
--
Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
As I said: "There's a call to clearPshift in do_merge which causes a
segfault". Theres only one call to clearPshift in do_merge as far as I
can remember.
--
-----------------------------------------------
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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