在用MS Forcite模块计算内聚能密度时,提示有下列信息:Some Cohesive energy densities are negative and have been omitted from the calculation.
They do not contribute to the average or standard error values and appear as blanks in the study table.
If the trajectory has been generated via Molecular Dynamics this probably indicates that
equilibrium has not been reached. Try equilibrating for a longer period of time.