[AMBER] Flexible ring simulation

From: Dong Xu <quantum_mania.yahoo.com>
Date: Wed, 22 Apr 2009 00:04:55 +0100

Hi,

I'm curious how well ring (chair, boat etc.) conformations and puckering are treated in Amber? It seems to me that flexible rings such as cyclohexane are more unstable then bezene in my MMGBSA results.

 Dong Xu
UC, San Diego
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Received on Wed May 20 2009 - 12:10:29 PDT