Using 5 as mu_max and -1 as the dipole moment.
WARNING: EpsilonRF = 0.0, this really means EpsilonRF = infinity
Reading file md.tpr, VERSION 2019.5 (single precision)
Group 0 ( System) has 131700 elements
Group 1 ( Water) has 131620 elements
Group 2 ( SOL) has 131620 elements
Group 3 ( non-Water) has 80 elements
Group 4 ( Ion) has 80 elements
Group 5 ( K) has 40 elements
Group 6 ( Cl) has 40 elements
Group 7 ( Water_and_ions) has 131700 elements
Select a group: 0
Selected 0: 'System'
There are 32985 molecules in the selection
There are 80 charged molecules in the selection,
will subtract their charge at their center of mass
Reading frames from gro file 'Potassium chloride solution in water', 131700 atoms.
Last frame 0 time 0.000
Average volume over run is 1086.77
Not enough frames for autocorrelation
有大佬遇到过同样的问题，知道是哪里的问题吗？是参数文件设置需要改动还是怎样作者Author: sobereva 时间: 2020-5-29 06:50
这要对轨迹进行统计，怎么能用就含一帧的gro文件当输入作者Author: 寂秋 时间: 2020-5-29 07:02