Bug on polar calculation

[Maurizio Cavani Brain]

Dear Rajendra,

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.

Best regards, Maurizio

[Rajendra Kumar]

Dear Maurizio,

Without looking into input files, it would be difficult. Have you checked the memory consumption? If possible, could you please send me the example input files directly to my email. I will look into it.

Thanks,

Rajendra

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