Data for Integrated Database, ver.1.0

Analyzed data from MD simulations of small RNA motifs, comparison of predicted and measured NMR observables, performance of common RNA force fields, water models and ion parameters. The data are divided into directories by molecule. Simulations are stored in .dat files while .txt files contain a summary of all. The raw-data folder contains the calculated distances and dihedrals of the defined atoms. The dataset also includes an image to visualize molecule or a pdb file to use it in the Mol* Viewer software.