Thank you, Justin.

As suggested, I re-ran the regression tests and got the result:

All 16 simple tests PASSED
All 45 complex tests PASSED
All 142 kernel tests PASSED
All 10 freeenergy tests PASSED
All 12 rotation tests PASSED
All 0 extra tests PASSED
All 42 pdb2gmx tests PASSED

I shall keep the simulation running and see what happens.


-- 
Best wishes,
Kelechi
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