MS计算含硼化合物的晶体结构出错

wuyiyyyy

目前使用MS的polymorph模块在compass力场下计算一些有机小分子的晶体结构。以前没有碰到过含硼的材料，这次计算之后直接出错。出错的报告
Unable to calculate the ForcefieldType for particle 'B1'
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 1 particle.
Try using a different forcefield or assign types manually (and remember to turn off the automatic calculation of forcefield types)


根据说明应该是力场对于这种含硼的材料不合适需要手动调整

想请教下应该怎么调整

wuyiyyyy

发现compass力场没有硼的力场类型，应该没有办法计算

zzzzvoid

你好 我最近也在计算含硼类物质，请问你最后是怎么解决的