[gmx-users] Re: Dose the GROMOS FF favour beta-sheets?

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Fri Feb 22 15:24:37 CET 2008


On Friday, 22. February 2008 14:51, pascal.baillod at epfl.ch wrote:
> Thank you very much for your answer! I use the 43a1 force field. Here are
> two references of comparative force field studies that suggest that
> gromos-g96 favours beta sheets. I would be interested in any other study
> with similar or different conclusions.
> Yoda, T.; Sugita, Y. & Okamoto, Y. Secondary-structure preference of
> force-fields for proteins evaluated by generalized-ensemble simulations
> Chemical Physics, 2004, 307, 269-283
> Yuguang, M.; Kosov, D. S. & Stock, G. Conformational Dynamics of Trialanine
> in Water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS Force Fields to
> NMR and Infrared Experiments J Phys Chem B, 2003, 107, 5064-5073

another reference:

Rueda, Manuel; Ferrer-Costa, Carles; Meyer, Tim; Pérez, Alberto; Camps, Jordi; 
Hospital, Adam; Gelpí, Josep Lluis; Orozco, Modesto
A consensous view to Protein Dynamics
Proc. Natl. Acad. Sci USA (2007), 104, 796-801.



 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
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 Mailto: florian.haberl AT chemie.uni-erlangen.de

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