BFEE2
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ERROR in Post-treatment
Dear Professor Fu:
Thank you very much for your report, which has taught me a lot. While attempting to use BFEE2 and performing simulations with Gromacs, I encountered an error during the final post-processing step: ‘r_star cannot be larger than r_max of step 7!’.
However, when I set r_star to a sufficiently small value, I received another error: ‘Unknown error! The error message is: math range error’.
I am unsure how to proceed with resolving these issues, so I am seeking your guidance. Thank you very much for your advice!
Attached is the pmf file for this calculation. czar_pmf_file.zip Once again, thank you for your work!