Automated topology builder(ATB)提交任务问题

琦锅锅_XI7es · 发表于 2020-9-7 17:09:16

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请问大家Automated topology builder(ATB)中提交文件出现warning！Possible missing hydrogens or incomplete valence
lf any hydrogens are missing the quantum mechanical calculations and the resulting force field will be incorrect.Even if you intend to generate a united-atom topology,you still must.All atoms are present.The number of hydrogens is low compared with an average molecule.
我的氢键已经加了，但还是有问题，可能是不完整的价态。这个该怎么解决呢？

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[Gromacs] Automated topology builder(ATB)提交任务问题

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