hi all! recently,i configuratued a sio2 base!but when i minimized it in
gmx,it was wrong! and show the follow messeage!
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Program mdrun, VERSION 3.3.1
Source code file: nsgrid.c, line: 226
Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.
Variable ci has value -2147483648. It should have been within [ 0 .. 288 ]
Please report this to the mailing list ([email protected])
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and i do not know why! for all the coordinates are right ,and i determined the
O!can anyone help me? _______________________________________________
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