标题: 求助跑完npt之后，换上电极板跑NVT就报错 [打印本页] 作者Author: 恐龙 时间: 2025-6-17 09:14 标题: 求助跑完npt之后，换上电极板跑NVT就报错 我在跑完npt之后，换上电极板跑NVT就报错，有没有大神帮忙解决一下，附件包含TOP和MDP文件
Fatal error:Too many LINCS warnings (1061)
If you know what you are doing you can adjust the lincs warning threshold in
your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem