IonSolvR: Ion Solvation Repository

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Contents of IonSolvR records

Each IonSolvR record consists of a zip file containing:

- an *.xyz file that contains the three geometric coordinates and 3 force coordinates for every 10th timestep.

- a *.out file that contains the energy and temperature information at every 10th timestep.

- A run* folder containing all the files necessary to restart the molecular dynamics trajectory.

Records by Solute