WebFF
latest
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
WebFF
Docs
»
7. Tutorial
»
7.3. Data Curation for Water Model Force-Field Data
Edit on GitHub
7.3. Data Curation for Water Model Force-Field Data
¶
7.3.1. Water Models
¶
Metadata
3-site
7.3.2. References
¶
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).
Read the Docs
v: latest
Versions
latest
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.
