This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- README.txt: Description of each file
- Rescaled-Snapshot.tgz: Snapshot used for rescaling the O-H bond lengths of water molecules, being the 11th step the non-rescaled one, 1 to 10 with lower O-H bond lengths, and 12 to 21 with longer O-H bond lengths. Cubic box of side 9.8667 Angstroms.
- SPCE-FH.tgz: 20 snapshots collected from a classical molecular dynamics with 64 water molecules, using the SPCE-FH force field. Simulation at 300 K with a cubic box with a side of 12.415 Angstroms.
Simulation at 300 K with a cubic box with a side of 12.415 Angstroms.
- TIP4P.tgz: 20 snapshots collected from a classical molecular dynamics with 64 water molecules, using the TIP4P force field. Simulation at 300 K with a cubic box with a side of 12.415 Angstroms.