[gmx-users] water density
fuwei at adrik.bchs.uh.edu
Tue May 11 20:12:58 CEST 2004
Before gmx-users have disscussed water density to run MD. As David suggested, we can delete some numbers of water to adjust water density. I follow this idea, but when I equilibate system with NPT ensemble, I found the box size was decreased, and the water density decreases. I think the reason is the pressure adjust the density. when I equilibate system with NVT, the water distribution is not equal.There is no water in some space of simulation box.
Does anyone (David?) have experience on water density? Thanks!
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