Dear AMBER users,
I have performed 3 independent MD simulation of protein-ligand complex,
each simulation run length is having 150 ns. Now, if I want to calculate
MM_PBSA calculation using 2000 frames from the last 20 ns then, should I
have to extract the 2000 frames from the last 20 ns and then, have to
provide those trajectories in MMPBSA inputs ?
Your suggestions would be highly appreciated.
Thanks and regards
Kankana Bhattacharjee
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Received on Tue Sep 12 2023 - 03:00:02 PDT
