Error in generating amber topology from gromacs file

[Sanjay Paul]

I tried gmx_mmpbsa for binding energy calculation of protein-ligand complex. I am getting an error in amber topology generation step. The input files were obtained from gromacs 2023 version....gmx_MMPBSA is using grmacs 2022 mpi version in conda environment. I have attached the log files for more detail. 

Standard library logic error (bug):
[DEBUG  ] (exception type: St12length_error)
[DEBUG  ] vector::_M_default_append

thanks in advance

Sanjay Kumar Paul

Assistant Professor 

Department of Zoology

Rammohan College

Kolkata, India

[marioe911116]

you are using Gromacs v2022 to process an index generated by v2023. To solve this problem, you can update the gromacs version from conda

conda update gromacs

or use your own through the gmx_path variable in the input file