标题: Ni纳米团簇放在载体表面，用forcite中的compass力场进行结构优化报错 [打印本页] 作者Author: yzy1995123 时间: 2022-2-8 15:15 标题: Ni纳米团簇放在载体表面，用forcite中的compass力场进行结构优化报错 我建了个Ni的纳米团簇，放在了载体表面，想用forcite中的compass力场进行结构优化，结果报错了，报错结果如下，请问各位老师是什么问题，谢谢！Unable to calculate the ForcefieldType for particle 'Ni0'
The typing engine has been unable to assign a forcefield type.
No typing rules found that match (except the wildcard '?').
The typing engine has failed to calculate a forcefield type for 9 particles.
Try using a different forcefield or assign types manually (and remember to turn off the automatic calculation of forcefield types).
Unable to calculate energy and gradients.
Geometry optimization finished with an error condition.