[gmx-developers] (no subject)
Fan Hao
f.Hao at chem.rug.nl
Sat Jul 12 04:35:13 CEST 2003
Hi, All:
I meet a problem which cause "segmentation fault, core dump",
when I did mdrun. I used grompp -norenum ... to produce my topol.tpr
and it was ok. Later I need to use all the coordinates of the molecule
atoms in force(). The molecule has 833 atoms while I only can got
around 700 atom's coordinates by output rvec x[] using
for(i=0;i<833;i++)
fprintf(stdlog,"%f %f %f\n",x[i][0],x[i][1],x[i][2]);
I am not sure which mistake I have made. Any hints will be sincerely
appreciated. Thanks a lot in advance!
Best regards
Yours sincerely
Hao Fan :-)
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Drs. Hao Fan email F.Hao at chem.rug.nl
Lab. of Biophysical Chemistry
University of Groningen
Nijenborgh 4 9747 AG GRONINGEN
The Netherlands
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