6
votes
Starting configuration for Molecular Dynamics
Usually one needs to employ periodic boundary conditions (at least in the horizontal directions). Any atoms which fly outside of the box will be mapped to the opposite side. This also has to be ...
- 3,065
3
votes
Starting configuration for Molecular Dynamics
The biggest issue in your subsequent simulation won't be the periodicity of the box -- it will be trying to equilibrate your system down from what looks like a tangle of lipids into an orderly ...
- 131
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