luis andre Baptista

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Questions related from luis andre Baptista

Why are forces in molecular dynamics simulations computed through a negative gradient of the potential energy function?

Why is it used in the negative and not the positive of gradient?

23 September 2012 2,313 5 View

What do you understand by convergence in molecular dynamics?

I've been trying to find a criteria for convergence in molecular dynamics. What do you understand by convergence in molecular dynamics? What does it mean?

27 July 2012 5,502 6 View