[gmx-users] simulation_uery

[Ms. Nikita Bora]

Sir, I am running a simulation for 50ns for a protein separately and also
with a ligand docked to the protein. The mdp files and all are same for
both the run , but however while running the protein its taking only
around 3 days while running the protein-ligand docked complex its taking
around 7 days. I am not able to understand as to why there is so much of
difference in time taken.

Yours faithfully
Nikita Bora



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