normal Martini 3 CG water not becoming spherical under NVT

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2 months 3 weeks ago #9440 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.

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2 months 3 weeks ago - 2 months 3 weeks ago #9443 by riccardo
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: 2 months 3 weeks ago by riccardo.

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