Bsoft program

bmm

Usage: bmm [options] in1.star [in2.star ...]

Mechanical modeling.

Actions:

-centerCenter before all other operations.
-minimize 150Number of iterations for minimizing a model.
-dynamics 500Number of iterations for running dynamics on a model.

Selections:

-allReset selection to all components before other selections.
-select #Mod1@14Select models and components.

Parameters:

-verbose 7Verbosity of output.
-componentradius 0.5Component display radius.
-linkradius 0.5Link display radius.

Parameters for minimization:

-shift 6.8Maximum shift per iteration (angstrom, default infinite).

Parameters for dynamics:

-timestep 0.01Integration time step (default 0.001).
-velocitylimit 0.01Limit on the velocity (default 0.1 per time step).
-friction 0.2Friction constant (default 1 = no friction).

Parameters for mechanics:

-neighbors 7,45Neighbor designation: number and neighborhood scale (default 8,50).
-Kdistance 0.1Distance force constant (default 0).
-Klink 0.01Link force constant (default 0).
-Kangle 0.1Angle force constant (default 0).
-Kpolyangle 0.1Polygon angle force constant (default 0).
-Kpolygon 0.001Polygon regularity force constant (default 0).
-Kpolyplane 0.1Polygon planarity force constant (default 0).
-Kpoint 0.1,0.02Point force constant and decay (default 0,0.01).
-Kradial 0.1Radial force constant (default 0).
-radius 212Reference radial distance (default 0).
-Kplane 0.2Neighbor plane force constant (default 0).
-Kguide 0.5Polyhedron guide force constant (default 0).
-Kmap 0.5Map force constant (default 0).
-sigma 17Sigma determining kernel size for fitting a map (default map pixel size).

Input:

-parameters parm.starModel parameter file (default atom_prop.star).
-guide file.starPolyhedron guide model file.

Output:

-output file.starOutput model file.
-writeparam dm.starWrite model parameter file.

Bsoft version 2.0.7-20200917 (64 bit)


Generated by bdoc.pl on Mon Oct 26 08:20:11 2020


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