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[提问] amber计算蛋白与小分子动力学出错

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发表于 2017-6-21 11:22:46 | 显示全部楼层 |阅读模式

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使用amber计算蛋白质与小分子动力学时报错,错误提示为 Could not find angle parameter: o - c2 - ca
Could not find angle parameter: os - c2 - o
Could not find angle parameter: os - c2 - ca
Could not find angle parameter: o - c2 - os
Could not find angle parameter: ca - c2 - o
Could not find angle parameter: ca - c2 - os
Could not find angle parameter: cq - ca - c2
Could not find angle parameter: cp - cq - ca
Could not find angle parameter: cp - cq - ca
Could not find angle parameter: o - ca - cp
Could not find angle parameter: ca - cp - cq
Could not find angle parameter: ca - cp - cq
Could not find angle parameter: o - c2 - ca
Could not find angle parameter: c2 - ca - cp
Could not find angle parameter: os - c2 - o
Could not find angle parameter: os - c2 - ca
Building proper torsion parameters.
** No torsion terms for  ca-cp-cq-ca
** No torsion terms for  ca-cp-cq-ca
** No torsion terms for  ca-cp-cq-ca
** No torsion terms for  ca-cp-cq-ca
求帮助,感激不尽
发表于 2017-6-27 14:53:52 | 显示全部楼层
没有加载gaff力场?
发表于 2017-6-30 16:22:28 | 显示全部楼层
本帖最后由 邙山的鱼 于 2017-6-30 16:23 编辑
viger87 发表于 2017-6-30 14:57
处理体系的时候加上gaff力场

看了一下gaff里面好像也没有这几个参数...
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