AMBER Archive (2009)

Subject: [AMBER] Flexible ring simulation

From: Dong Xu (quantum_mania_at_yahoo.com)
Date: Tue Apr 21 2009 - 18:04:55 CDT

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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