On 18/01/2011 8:06 PM, ahmet yıldırım wrote:
Dear users,
I tried the emol values the following:
As emol=2000, Potential energy=-4.7x10^5
As emol=1000, Potential energy=-4.9x10^5
As emol=100, Potential energy=-5.2x10^5
Generally, when we did the energy minimization:
how much potential energy value=? we can say that the energy
minimization is good.
I've already posted on this topic twice in the last 12 hours. :-) It's
good enough when it's negative, has large magnitude, and the next thing
you do with the minimized system works!
Mark
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