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[求助]
采用Discover优化结构找不到相应参数
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我采用Discover模块优化糖分子时总是出现以下内容，compass，pcff，cvff力场都试过了，还是出现以下提示： Error: Energy expression: cannot find parameters for bond: H1(ag_m)-C1(ag_m) Error: Energy expression: cannot find parameters for bond: C1(ag_m)-O1(ag_m) Error: Energy expression: cannot find parameters for bond: C1(ag_m)-H3(ag_m) Error: Energy expression: cannot find parameters for bond: C1(ag_m)-C3(ag_m) Error: Energy expression: cannot find parameters for bond: O1(ag_m)-C2(ag_m) Error: Energy expression: cannot find parameters for bond: C2(ag_m)-H2(ag_m) Error: Energy expression: cannot find parameters for bond: C2(ag_m)-C12(ag_m) Error: Energy expression: cannot find parameters for bond: C2(ag_m)-C5(ag_m) Error: Energy expression: cannot find parameters for bond: C3(ag_m)-H4(ag_m) Error: Energy expression: cannot find parameters for bond: C3(ag_m)-C4(ag_m) Error: Energy expression: cannot find parameters for bond: C3(ag_m)-N1(ag_m) Error: Energy expression: cannot find parameters for bond: N1(ag_m)-H5(ag_m) Error: Energy expression: cannot find parameters for bond: N1(ag_m)-S3(ag_m) Error: Energy expression: cannot find parameters for bond: C4(ag_m)-H6(ag_m) Error: Energy expression: cannot find parameters for bond: C4(ag_m)-C5(ag_m) Error: Energy expression: cannot find parameters for bond: C4(ag_m)-O2(ag_m) Error: Energy expression: cannot find parameters for bond: O2(ag_m)-H7(ag_m) Error: Energy expression: cannot find parameters for bond: C5(ag_m)-O12(ag_m) Error: Energy expression: cannot find parameters for bond: C5(ag_m)-O3(ag_m) Error: Energy expression: cannot find parameters for bond: O3(ag_m)-C6(ag_m) Error: Energy expression: cannot find parameters for bond: C6(ag_m)-C8(ag_m) Error: Energy expression: cannot find parameters for bond: C6(ag_m)-O4(ag_m) Error: Energy expression: cannot find parameters for bond: C6(ag_m)-H12(ag_m) 想问下有没有哪位大侠遇到过这种情况？最终怎么解决的啊？现在卡到这里了，很是郁闷啊，急需帮助！  |
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