amber计算蛋白与小分子动力学出错

a779521025

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

邙山的鱼

没有加载gaff力场？

邙山的鱼

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...