Hi All,
when I run energy minimization the system gives error, and broke up. it has
error about steep integrator and says tha: "steepest time is too small".
but the system is running by MD integrator without any em step). is the energy
minimization necessary to all cases? for example in DL_POL software we dont
have enegy minimization , seperately. is it correct that I start simulation
steps by md integrator and NVT ensemble?
tnx
Niki
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