AMBER Archive (2009)

Subject: Re: [AMBER] chemical shift penalty

• Previous message: Giacomo Bastianelli: "[AMBER] GBSA: dielectric symmetry"
• In reply to: Jacopo Sgrignani: "[AMBER] chemical shift penalty"
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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'
Manual.

...dac

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• Previous message: Giacomo Bastianelli: "[AMBER] GBSA: dielectric symmetry"
• In reply to: Jacopo Sgrignani: "[AMBER] chemical shift penalty"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]