- Introduction:
- This setup introduces the use of checkpointing. Ligands originally diffuse within a central box, then diffuse out when the checkpoint is reached, and are counted by
the sampling boxes located outside of the original box.
- The MDL file:
- linear_diffusion_1.mdl.html
- linear_diffusion_2.mdl.html
You may use the following script file to control your simulation:
simu.com.html
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