Several force fields, including Amber99SB, were used to calculate NMR scalar couplings in the following study:
Best, R.B. et al. 2008. Are current molecular dynamics force fields too helical? Biophys. J. 95:L7-L9.
A correction was later reported that indicates that Amber99SB was not implemented correctly in this study.
Best, R.B. et al. 2008. Biophys. J. 95:4494.
I use the Amber99SB force field and want to avoid any likely missteps. Is there a common pitfall?
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Received on Wed Aug 19 2009 - 21:26:05 PDT
