Hello,
I am getting the error below almost at the end of the simulation performed using gromacs 2023.1 . I am sure I did not encounter this problem before with
the same input files. This has just happened now. I really have no clue why
this is happening. could you please help me? Thank you all in advance.
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step 28764850: One or more water molecules can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.
Wrote pdb files with previous and current coordinates
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, 0.00000e+00, 0.00000e+00}
Box[ 1]={ -nan, -nan, -nan}
Box[ 2]={ -nan, -nan, -nan}
Can not fix pbc.
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