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Martini 3 CG water not becoming spherical under NVT
- roshan2004
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1 year 9 months ago #9440
by roshan2004
Martini 3 CG water not becoming spherical under NVT was created by roshan2004
Hi,
When we put a certain number of molecules in a small cubic box, and put it inside a large cubic box, under NVT simulation, the water cubic box is supposed to be spherical in shape to reach a minimum energy state. However, the Martini 3 water is not becoming spherical at all. Is this an issue with Martini 3 water, though obviously, CG representation of water is a coarser version? Thanks.
When we put a certain number of molecules in a small cubic box, and put it inside a large cubic box, under NVT simulation, the water cubic box is supposed to be spherical in shape to reach a minimum energy state. However, the Martini 3 water is not becoming spherical at all. Is this an issue with Martini 3 water, though obviously, CG representation of water is a coarser version? Thanks.
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- riccardo
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1 year 9 months ago - 1 year 9 months ago #9443
by riccardo
Replied by riccardo on topic Martini 3 CG water not becoming spherical under NVT
You mean that at very low-densities you see that Martini water does not form a water spherical-ish droplet? What shape do you get? And for how long did you relax the system?
Last edit: 1 year 9 months ago by riccardo.
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