ANINDITA GAYEN wrote:
Hi all,
In the TIP4P water layer above my dmpc bilayer after 100ps (OPLS-BERGER)
a hole is being formed. Some water molecules are absent in the water
layer, but the total no of water molecules are same. This is my semi.mdp
file
This sounds like normal behaviour under periodic boundary conditions.
Check the other side of the boundaries. See
http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions
Mark
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