AMBER Archive (2009)

Subject: [AMBER] chemical shift penalty

From: Jacopo Sgrignani (
Date: Thu Mar 05 2009 - 03:47:03 CST

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?

Thanks a lot


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