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Moloc: Molecular Modelling on UNIX Workstations: 10 Optimizer, C-alpha Force-Field [mca,dca]

Optimizer, C-alpha Force-Field [mca,dca]

This is the basic menu from which to operate the C-alpha force field [Biopolymers 32, 1003-1017, 1992]. Its organization is completely analogous to the MAB-force field menu. For this reason only the menu items are listed, except where they have no corresponding item in mab. Missing explanations can be looked up in the corresponding items of the Section on the MAB-force field.

The menu name mca or dca indicates whether the user has set the dynamics toggle to energy minimization or to dynamics.

Energy examination and setting of constraints are two submenus that are set up in complete analogy to corresponding ones in the MAB-force field , though some of the menu points are missing or have additional functionality as adaption to the differences in the two force fields may require. The user is advised to consult the on-line help for differences.

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