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Subsections

Constraints and Restraints


Bond constraint parameters

Harmonic restraint parameters

The following describes the parameters for the harmonic restraints feature of NAMD. For historical reasons the terminology of ``harmonic constraints'' has been carried over from X-PLOR. This feature allows a harmonic restraining force to be applied to any set of atoms in the simulation.

Fixed atoms parameters

Atoms may be held fixed during a simulation. NAMD avoids calculating most interactions in which all affected atoms are fixed unless fixedAtomsForces is specified.


next up previous contents index
Next: Standard Minimization and Dynamics Up: Force Field Parameters Previous: Water Models   Contents   Index
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