Re: Varying Force Simulations

From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Mon Feb 26 2007 - 02:19:01 CST

Viral D. Tejani wrote:
> Gianluca,
>
> Thank you for your suggestion.
>
> The reason I want to apply a varying force is to test out a relation
> determined in Evans' "Probing the relation between force - lifetime -
> and chemistry in single molecular bonds," where he empirically
> determined that the critical force at which a bond breaks is linearly
> proportional to the natural log of the Loading Rate. The loading rate
> is the slope of a linear function of force over time.

I presume you're aware that MM forcefields are not ordinarily
appropriate for studies requiring bond breaking, and have something
special in mind...

Mark

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