Dear Users I am trying to do a simulation in lipid using DPPC12a.pdb.I have done all the necessary changes rewuired.I am using FFGMX force field while doing positional restarined step its giving following error:
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 .. 125 ] But during energy minimization step I got a message that energy minimization converges in 18 steps but dint reach the cuttoff value you specified. I am eager to know when a person gets this type of error Kindly help me Waiting for your invaluable suggestions -- PRASUN (ASHOKA)
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