AMBER Archive (2009)
Subject: [AMBER] chemical shift penalty
From: Jacopo Sgrignani (sgrignani_at_cerm.unifi.it)
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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