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Re: [modeller_usage] Ca-Ca restraints
- To: Mariana GONZALEZ MEDINA <mariana.gonzalez-medina AT pasteur.fr>, "modeller_usage@listsrv.ucsf.edu" <modeller_usage@listsrv.ucsf.edu>
- Subject: Re: [modeller_usage] Ca-Ca restraints
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Mon, 20 Apr 2020 15:29:59 -0700
On 4/20/20 1:31 AM, Mariana GONZALEZ MEDINA wrote:
I understand now, I was only taking into account Ca-Ca distances for
which the mathematical from was a Gaussian but if I use multiple
templates the restraint becomes multimodal and the from is a spline. If
I were to plot the distances with a gaussian from I would be plotting
the probability density and the distance values. What are the values
that I get for the spline?
It is exactly the same for a multimodal restraint - it is a probability
density on the distance. A cubic spline is used because it is faster to
evaluate than multiple Gaussians.
Ben Webb, Modeller Caretaker
--
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