Hi,
I am doing a simulation of a carbon nanotube in water. I have done
the energy minimization successfully and when I passed to the molecular
dynamics simulation it terminated with "Segmentation Fault". It seems
the only way to bypass this is to reduce the time step "dt" to 0.1 fs
which is very low and thus the simulation takes very long (actually it
has been running for 6 hours now and yet no more errors anyway). What is
the reason of this error? Does anybody know of a better solution? Is
there something to change in the input parameters or a further step
needed that allows the use of a larger timestep?
Thank you very much in advance,
Regards,
George
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