GROMACS version:2023 and 5.1.4
GROMACS modification: Yes/No
Hello,
I am trying to calculate HB life using gmx hbond analysis tool.
gmx hbond -f traj.trr -s npt_equ_300.tpr -n hb.ndx -ac
hb.ndx file have
[ H1 ]
1 2
1 3
[ oxy ]
187
202
Gromacs 5.1.4 version gives the segmentation error and Gromacs-2023 version gives following error
Program: gmx hbond, version 2023
Source file: src/gromacs/correlationfunctions/manyautocorrelation.cpp (line 61)
Function: int many_auto_correl(std::vector<std::vector >*)
Inconsistency in user input:
Empty vector supplied
How to resolve this issue?