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equilibration time

From: Ahmad Reza Motezakker
Subject: equilibration time
Date: Tue, 28 Jun 2022 14:11:23 +0000

Dear EspressoMD users,

I hope you are fine.

I have a crowded system of polymers coupled with LBM fluid. I have a concern related to the proper time for system to reach equilibrium and then extracting correct data.

for lower concentrations, MSD graph was almost linear but with increasing concentration it seems that the system does not converge and msd behaviour is not normal. Could you please help me with this issue and share with me your experience?

really appreciate that,

Ahmad Reza

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