-verbose 7 | Verbosity of output. |
-sampling 1.5,1.5,1.5 | Sampling (A/pixel; a single value can be given). |
-bbox 0,82.5,50,50,80,50 | Bounding box center and size (default from coordinates or map). |
-wrap | Wrap around (periodic boundaries). |
-resolution 20 | Resolution limit (angstrom). |
-iterations 60 | Maximum number of iterations (default 1). |
-Kbond 150 | Bond strength (default 0). |
-Kangle 4 | Angle strength (default 0). |
-Kvdw 0.1 | Van der Waals strength (default 0). |
-Kelectrostatic 0.4 | Electrostatic strength (default 0). |
-Kseparation 0.02 | Separation energy constant (default 0). |
-Kmap 1.5 | Map energy constant (default 1 if -Map option is used). |
-separation 4.5 | Separation distance for overlap calculation (default 4 A). |
-cutoff 7.8 | Distance cutoff for non-bonded forces (default 5 A). |
-beta 12 | Inverse of mean energy per atom and degree of freedom (default 10). |
-angle 1.5 | Maximum angular increment per iteration (default 1 degree). |
-shift 3.1 | Maximum shift per iteration (default 1 angstrom). |
-bondsteps 5 | Number of steps along a bond for map fitting (default none). |
-location 12,5.3,6 | Location of harmonic force to apply to center-of-mass. |
-Klocation 16.8,0.2 | Magnitude of harmonic force and decay constant. |
-SS 2.05 | Set disulphide reference bond length. |
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