Hi all,
I am trying to find all possible h-bonds between chains in my complex. I
am using:
g_hbond_d -f system_run1_MD050_fitbb.xtc -s system_for_EM.tpr -n
system.ndx -g system_run1_MD050_fitbb_Hbond_all.log -num
system_run1_MD050_fitbb_Hbnum_all.xvg -hbn
system_run1_MD050_fitbb.xtc_Hbond_all.ndx
and after reading 100ns the system crash and report:
Reading frame 1000 time 100000.000 g_hbond_d(42677) malloc: ***
error for object 0xd: pointer being reallocated was not allocated
*** set a breakpoint in malloc_error_break to debug
I am suing gromacs 4.0.7 (double precision) on mac (10.6.8), which I
compiled myself (not via fink). I also tried to compile it using dmalloc
without success.
Thanks in advance for any idea,
Itamar
--
"In theory, there is no difference between theory and practice. But, in practice,
there is." - Jan L.A. van de Snepscheut
===========================================
| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
|
| Department of Biochemistry and Molecular Biology
| Building 77 Clayton Campus
| Wellington Road
| Monash University,
| Victoria 3800
| Australia
|
| Tel: +61 3 9902 9376
| Fax: +61 3 9902 9500
| E-mail: itamar.k...@monash.edu
============================================
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