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    4520     499.6416    491.08459
    4530    502.53186    491.94871
    4540    496.70901    514.57522
    4550    505.29421    488.53725
    4560    497.18663    500.03731
    4570    500.95879    492.00334
    4580    497.61546    495.51143
    4590    503.87857    499.40115
    4600    499.22191    499.48871
    4610    500.30503    493.48979
    4620      -1.#IND    501.96431
ERROR on proc 0: Out of range atoms - cannot compute PPPM (../pppm.cpp:1918)

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