Half a hour I experienced before (alomst 1000, molecular weigh), but this number shouldn't be the longest one.

No one knows "the longest MD simulation" because we only know what's published and the industry sector has more computational resources that academic one.

To the best of my knowledge, It was in the scale of millisecond for a large system (800k atoms). But for a single small protein, those resources would be enough to reach a few seconds.

Details are here

https://arxiv.org/abs/2405.07898

Dear Zhi Cao

have the results of such long simulations been published?

Dear Jameel M. Abduljalil,

thank you!!

I was just looking for the longest trajectory time ever published, at least by the academic sector.

Yuliya Vladimirovna Kordonskaya ， details is not rememberable，maybe this results is from our work, PIM1 kinase and its inhibitor candidates screening: https://www.sciencedirect.com/science/article/abs/pii/S0168365921001012?via%3Dihub

hope the information above help you well.

Dear Zhi Cao,

thank you!!