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° | SimSteps | - | Set number of simulation steps per screen update |
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| Command | | Argument |
| Datatype | | Default | | Min | | Max | |
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| Format: | | SimSteps | Number = Number of simulation steps per screen update | | INT |
| - | | - | | - | | |
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| Python: | | SimSteps(number) | | ||||||||||
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| Menu: | | Simulation > Timestep | | ||||||||||
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| Related: | | Timestep | | ||||||||||
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| Required: | |
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Updating the screen takes a certain amount of time which can become the rate limiting step when simulating small molecules. Choosing a
SimSteps value >1 lets YASARA respond more slowly,
but increases the overall simulation performance. SimSteps
is mainly used in self-running macros that do not require user interaction.
Example 1:
SimSteps 5
Update the screen only every 5th simulation step.
Example 2:
SimSteps 1
Show every single simulation step.