[gmx-users] necessity of energy minimization
gmx_gmx_12 at yahoo.com
Thu Jan 10 08:32:33 CET 2013
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?
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