How is this constant energy mode? KE increases(accepted) but the total never seems to be constant. I cant keep increasing my no. of steps. moreover how can so many vibrations be introduced at a temp. of 0.001 K.
I stabilized the initial configuration using 2 million steps so that there is less error.
Please help :(
-
karamyog.
On 5/18/06, Mark Abraham <[EMAIL PROTECTED]> wrote:
karamyog singh wrote:
> I know where the minimum is and I said exactly what you did. However I
> interpreted the potential becoming 0 as the point before r-min. The
> potential once becomes 0 before minimum potential value. I thought you
> were referring to that point and that is why i got confused and asked
> you further questions.
Yes, you want a cut-off such that both U and dU/dx approximates 0 :-)
Mark
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