AMBER Archive (2009)
Subject: Re: [AMBER] chemical shift penalty
From: David A. Case (case_at_biomaps.rutgers.edu)
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 http://casegroup.rutgers.edu and click on "SHIFTS" in the
left-hand menu. We need to get more of these references into the Users'
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