??? wrote:
Hello,
I meet a problem, that is "segmentation fault." And this
"segmentation fault" comes out when I heat my system, the step "grompp -f
heat_water.mdp -c...-n ...-p ...-o ...". The original signs are as
follows:
processing topology...
Opening library file /usr/local/gromacs/share/gromacs/top/ff_dum.itp
Generated 222 of the 2415 non-bonded parameter combinations
Segmentation fault
I wish someone can help me solve this promblem. Thanks a lot!
"Segmentation fault" is a generic indication of something going
catastrophically wrong. If grompp works on other library files (go and
test it if necessary!) then you've probably mis-formatted ff_dum.itp and
need to compare it with the correct ones and/or the information in
chapter 5 of the manual.
Mark
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