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 The KressWorks Foundation C An IRS Approved 501 (c)(3) Charitable, Nonprofit Organization "Improving Lives One Atom At A Time" TM (248) 605-8770 Learn More and Donate At: <http://www.kressworks.org/> http://www.kressworks.org Confidentiality Notice | This e-mail message, including any attachments, is for the sole use of the intended recipient(s) and may contain confidential or proprietary information. Any unauthorized review, use, disclosure or distribution is prohibited. If you are not the intended recipient, immediately contact the sender by reply e-mail and destroy all copies of the original message. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
