Some energy terms are undefined

[Andrés Álvarez]

I hope this message finds you well. I am reaching out to seek assistance regarding an issue I've encountered while working with MMPBSA calculation in the protein-ligand system. I am facing difficulties with this error:

[INFO   ] Parsing results to output files...

[ERROR  ] MMPBSA_Error

Some energy terms are undefined. Please, check the input structure and trajectory. Check this section the docs for more info https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/Q%26A/calculations/#possible-solutions

Thank you in advance for your time and support. I look forward to your valuable input and guidance.

[Mario Sergio Valdes]

Did you follow the instructions in the link that is recommended to review?
Commonly, this error is due to problems with the structure in the trajectory, for example, clashes, separated molecules, or PBCs. Please check if this is your case. Follow the recommendations that appear in the link or this section (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/gmx_MMPBSA_running/#before-running-gmx_mmpbsa)