[gmx-users] error in Umbrella sampling

[Bratin Kumar Das]

Dear all,,
              I am performing Umbrella sampling on a beeta-sheet to
determine the binding energy between them. I got the following error.
Fatal error:
Distance between pull groups 1 and 2 (4.908636 nm) is larger than 0.49 times
the box size (4.908511).
while the box-length after equilibratin is
9.99217   3.99687   5.99530
I am doing umbrella sampling for the first time. Therefore, I am not able
to understand the error thrown by mdrun. Any help will be appreciated.