hi i am doing *I am doing a steepest descent for the initial mdrun for a peptide and it ** gives me the following error. * ** *following step i have done * *nohup mdrun -deffnm pr &*
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 .. 4913 ] Please report this to the mailing list (gmx-users@gromacs.org) *Please advice. *
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