Is it possible to get an hydrogen interaction plot after a molecular dynamics simulation in MOE?

09 August 2024 1 1K Report

Hi everyone!

Is it possible to draw a graphic of the number of hydrogen interactions versus time of simulation using the results obtained from a molecular dynamics simulation in MOE? How? Thank you.

Dahmawur Dang

Yes, it is possible to draw a graph of the number of hydrogen bonds (interactions) versus time using the results from a molecular dynamics simulation in MOE (Molecular Operating Environment).

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