标题: 请问跑动力学得到WARNING: negative index -1 in group LI是怎么回事？ [打印本页] 作者Author: yihanxu 时间: 2019-4-7 06:07 标题: 请问跑动力学得到WARNING: negative index -1 in group LI是怎么回事？ 本帖最后由 yihanxu 于 2019-4-6 18:15 编辑
老师好，大家好，跑em和md时都得到了两个WARNING: negative index -1 in group LI，请问是怎么回事？谢谢。
信息原文如下：
Setting the LD random seed to -475084323
Generated 91 of the 91 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 91 of the 91 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'ppy'
Excluding 3 bonded neighbours molecule type 'S4'
Excluding 1 bonded neighbours molecule type 'LI'
Excluding 3 bonded neighbours molecule type 'DME'
Excluding 3 bonded neighbours molecule type 'DOL'
Removing all charge groups because cutoff-scheme=Verlet
WARNING: negative index -1 in group LI
WARNING: negative index -1 in group LI
Number of degrees of freedom in T-Coupling group rest is 97881.00
Estimate for the relative computational load of the PME mesh part: 0.46
GROMACS reminds you: "Check Your Output" (P. Ahlstrom)