[gmx-users] Validation suite for force fields for Proteins, RNA, DNA and Lipids?

[James Kress]

Recently, I've been working with colleagues to develop a new force field for
biochemical/ biophysical application - specifically proteins, RNA, DNA and
Lipids. I've been seeking a testing/ validation suite for these type of
force fields with no success.

 

I recently noticed this publication:

 

"Force Field Benchmark of Organic Liquids: Density, Enthalpy of
Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility,
Volumetric Expansion Coefficient, and Dielectric Constant", by Carl Caleman,
Paul J. van Maaren, Minyan Hong, Jochen S. Hub, Luciano T. Costa, David van
der Spoel , J. Chem. Theory Comput., 2012, 8 (1), pp 61-74

 

Can anyone point me to a similar analysis of force fields for Proteins, RNA,
DNA and Lipids?

 

Thanks.

 

Jim

 

James Kress Ph.D., President

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