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° | LoadSim | - | Load simulation snapshot in sim format |
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| Command | | Argument | | Datatype | | Default | | Min |
| Max | |
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| Format: | | LoadSim | Filename = Filename of simulation snapshot, |
| STRING | | - | | - | | - |
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| | assignSec = Yes | No | | STRING | | Yes | | - |
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| Python: | | LoadSim(filename,assignsec=None) | | ||||||||||
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| Menu: | | File > Load > Simulation snapshot |
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| Related: | | SaveSim, Sim | | ||||||||||
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| Required: | |  | |
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The LoadSim
command restores atom velocities, positions, cell dimensions and simulation time (shown in the top right HUD
). Other parameters like force field, cutoff, long range forces
and boundary conditions must be set before calling LoadSim and should match the conditions when the snapshot
was saved. All the atoms must already be present
when calling LoadSim.
If you do not want the simulation to continue after you load a snapshot,
pause it before.
The
'assignSec' flag can be used to suppress the reassignment of secondary structure. This is helpful when playing back a simulation to avoid distracting secondary structure changes.
Example 1:
LoadSim 1crn00043
Load atom positions, velocities, simulation time and cell size from
1crn00043, 1crn00043.sim or sim/1crn00043.sim.
Example 2:
LoadSim 1crn00043,assignSec=No
As above, but do not reassign secondary structure.