MMSchema
Contents
Frequently Asked Questions
Examples
Water SPC Model
Structure
Molecule schema
Required Keys
Optional Keys
ForceField
Forcefield schema
Required Keys
Optional Keys
Nonbonded schema
Required Keys
Optional Keys
Potential Schemas
NonBonded LennardJones schema
Required Keys
Optional Keys
NonBonded EAM schema
Required Keys
Optional Keys
Bonds schema
Required Keys
Optional Keys
Angles schema
Required Keys
Optional Keys
Dihedrals schema
Required Keys
Optional Keys
Collections
Trajectory schema
Required Keys
Optional Keys
MMSchema
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Frequently Asked Questions
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Frequently Asked Questions