wang kelvin wrote:
hi:
i am doing simulation of a system consists of 512 DMSO moleculers and
917 water moleculers.
the whole system is running under 290K and 1bar ,and constraints = none;
the simulation has taken 8000 ps ,but it seems not to get stable
yet,because RMSD keeps rising.
when i did simulation of the same system with constraints set
all-bonds,it usually get stable within 3000ps.
i wonder whether any mistakes has been made or it is normal.
can you give some hints?
thanks.
what rmsd?
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