In our paper1 we have, among other auxiliary results, presented series of MD simulations using the DESRES2 RNA force field (ff). The simulations were carried out using our own implementation of the DESRES ff with the AMBER code on GPU clusters (Supporting Information of the original paper.1) The simulations were carried out with the TIP4P-D water model3 and Joung-Cheatham (JC) ion parameters originally derived for the TIP4P-EW water model.4 However, the simulations testing the DESRES ff in the original study by Tan et al.2 were carried out with the CHARMM225 ion parameters. Although the RNA simulations are widely considered to be insensitive to monovalent ion parameters,6 we later realized that one of the studied systems revealed ionsensitive behavior.
CITATION STYLE
Kührová, P., Mlýnský, V., Zgarbová, M., Krepl, M., Bussi, G., Best, R. B., … Banáš, P. (2020, January 14). Correction to: Improving the performance of the amber rna force field by tuning the hydrogen-bonding interactions(Journal of the American Chemical Society (2019)15:5 (3288−3305) DOI: 10.1021/acs.jctc.8b00955). Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.9b01189
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