[gmx-users] microcanonical
Mark Abraham
Mark.Abraham at anu.edu.au
Thu May 18 11:22:04 CEST 2006
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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