Polar calculations

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Maurizio Cavani Brain

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Oct 30, 2025, 1:56:43 AM (6 days ago) Oct 30

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I hope this message finds you well.

While running the program to compute the polar contribution, I encountered an issue where the process enters an infinite loop and fails to produce any results. I have thoroughly reviewed and adjusted the .mdp file to the best of my ability, and I have verified that the trajectory files are intact and free of errors.

Given these checks, I am confident that the problem lies within the program itself. I would appreciate any guidance or support you can provide to help resolve this issue.