AMBER Archive (2009)

Subject: Re: [AMBER] chemical shift penalty

From: David A. Case (
Date: Thu Mar 05 2009 - 17:59:33 CST

On Thu, Mar 05, 2009, Jacopo Sgrignani wrote:

> i would like to perform a simulation using chemical shift based penalties.
> I found that Amber can do that, but i would like to get tecnical notes
> about the matematical form of the penalty function and how the chemical
> shifts are used.
> Can anybody help me to find references?

Please to to and click on "SHIFTS" in the
left-hand menu. We need to get more of these references into the Users'


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