Atom selection error with gromacs trajectory

[Gsk468]

Hi, I am facing the following error on running the gromacs trajectory and tpr file in PYCONTACT. The atom selection command i used is selection1- segid seg_0_Protein_chain_A , selection2- segid seg_1_ligand name, as used by Mohammad Tasyriq in the article (https://www.sciencedirect.com/science/article/pii/S2352340920312439?via%3Dihub). However I still face the selection error as below. "Error while loading data: Probably you specified an atom selection with 0 atoms or invalid input files."

Please help me about how to choose the atom selection for Protein-ligand GROMACS trajectory to find contacts between the protein and ligand.

Looking forward for early response. Thanks and Regards Gagandeep

[maxscheurer]

Maybe this issue helps?