[gmx-users] how to create a box for bilayer

nanyu101 nanyu101 at sina.com
Sun Feb 16 03:00:03 CET 2003


Dear gmx-users,
  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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