[gmx-users] how to create a box for bilayer again!!!
nanyu101
nanyu101 at sina.com
Mon Feb 17 09:08:37 CET 2003
Dear gmx-users,
I just create a cubic box for my bilayer and ion channel.First,I put my channel into bilayer.Second, I try to create a cubic box for my system,but I failed to create a box just as David said.I can't get this box that there are water in z-axis.And I think if I can create this kind of box that the water molecules are in z-axis direction,but after EM,are those water molecules still in z-axis?
Would you please tell how to generate a box for bilayer that water can just on z axis direction. I can't fix that and when I run EM,the water molecule run into the gap of bilayer and protein.
So when I run md,the system told me that Warning: Only triclinic boxes with the first vector parallel to the x-axis and the second vector in the xy-plane are supported.
Box (3x3):
Box[ 0]={ nan, nan, nan}
Box[ 1]={ nan, nan, nan}
Box[ 2]={ nan, nan, nan}
Can not fix pbc.
Any comments is recommended.Thanks.
Best wishes,
Xianhui Wu
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