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分子动力学学术救急
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用DS跑分子动力学时，在Heating or Cooling 这模块时，出现: <MAKGRP> found 0 image group exclusions. <PME> Total heap storage needed = 2255241 Fill Ewald table: Number of points= 10000 EWXmax= 4.250000 fill erfc table: linear inter has rms error = 0.979220D-08 maximum error = 0.218740D-07 fill erfc table: cubic spline has rms error = 0.360331D-11 maximum error = 0.108438D-10 这问题该怎么解决，哪位大神可以指教，感谢  |
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