[gmx-users] the segmentation fault for MD with constraints=none!
wurl04 at iccas.ac.cn
Tue Nov 21 15:33:02 CET 2006
thanks for your great suggestions and i have met with new problems in
simulation of bulk systems or crystal cells when no constraints are
utilized, the systems either explode or met with "segmentation fault"!
and i am sure my systems are well minimized.
and again when constraints= all-angles, the system often collapse.
i have always being using the all-bonds constraints, but the bond length
distribution can no be thus derived.
the constraint parameters in mdp files are defaults!
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