Date: Sun Jun 18 2006 - 10:10:38 CDT
I have lipid bilayer - water system, which consist from 128 lipid
molecules, 64 molecules at each side. Starting system equilibrated and from each side of lipid
bilayer I have same quantity of water.
During simulation center of mass of whole system not changing(its
normall), but lipid bilayer center of mass slowly going down in z
direction, and on 20ns of my simulation on upper side there 2000
water molecules and on lower side 970 molecules.
I understand that WrapAll function enabled and water molecules
transfering over Periodic Boundary Box. But what is the physical reason for that type of transfer of lipid bilayer?
Additionally I attach simulation configuration file.
Bioinformatic Group of National Academy of Science of Armenia
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