标题: Forcite分子动力学报错求助Inconsistencies found in the non-bond energies [打印本页] 作者Author: 亲吻你 时间: 2020-10-28 15:24 标题: Forcite分子动力学报错求助Inconsistencies found in the non-bond energies Forcite分子动力学进行几何优化时失败，错误为：
Inconsistencies found in the non-bond energies. Expected: -inf Found: -inf
Unable to calculate energy and gradients.
Geometry optimization finished with an error condition.