[DEBUG ] Executable: /opt/anaconda3/envs/gmxMMPBSA/bin.AVX2_256/gmx
[DEBUG ] Data prefix: /opt/anaconda3/envs/gmxMMPBSA
[DEBUG ] Working dir: /home/omar/Dynamic_Alex/charmm-gui-
6615763234/gromacs
[DEBUG ] Command line:
[DEBUG ] gmx make_ndx -n index.ndx -o _GMXMMPBSA_COM_index.ndx -f step6.tpr
[DEBUG ]
[DEBUG ]
[DEBUG ] Reading structure file
[DEBUG ] Reading file step6.tpr, VERSION 2025.4-conda_forge (single precision)
[DEBUG ] Reading file step6.tpr, VERSION 2025.4-conda_forge (single precision)
[DEBUG ]
[DEBUG ] -------------------------------------------------------
[DEBUG ] Program: gmx make_ndx, version 2024.3-conda_forge
[DEBUG ] Source file: listoflists.h (line 98)
[DEBUG ] Function: gmx::ListOfLists< <template-parameter-1-1> >::ListOfLists(std::vector<>
[DEBUG ]
[DEBUG ] Inconsistency in user input:
[DEBUG ] listRanges does not have a first element with value 0
[DEBUG ]
[DEBUG ] For more information and tips for troubleshooting, please check the GROMACS
[DEBUG ] website at
https://manual.gromacs.org/current/user-guide/run-time-errors.html[DEBUG ] -------------------------------------------------------
[ERROR ] MMPBSA_Error
/opt/anaconda3/envs/gmxMMPBSA/bin.AVX2_256/gmx make_ndx failed when querying index.ndx
Check the gmx_MMPBSA.log file to report the problem.