WebFF
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User Documentation
1. WebFF
2. Force-Field Data Search
3. Force-Field Curation to WebFF
4. XML Schemas
5. Python Tools
6. Importing Data
7. Tutorial
7.1. Data Curation for Atomistic Force-Field Data
7.2. Data Curation for Coarse-Grained Force-Field Data
7.3. Data Curation for Water Model Force-Field Data
7.3.1. Water Models
7.3.2. References
8. Publications
9. Contacts
10. Legal
Reference
1. Metadata
2. Atom Types
3. Bond Potentials
4. Angle Potentials
5. Dihedral Potentials
6. Improper Potentials
7. Cross Potentials
8. Non-Bond Potentials
9. Table Potentials
10. Mesoscale Potentials
11. Water Models
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7. Tutorial
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7.3. Data Curation for Water Model Force-Field Data
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7.3. Data Curation for Water Model Force-Field Data
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7.3.1. Water Models
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Metadata
3-site
7.3.2. References
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William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein, “Comparison of simple potential functions for simulating liquid water”, J. Chem. Phys., 79 (2), pp. 926–935, (1983).
