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I am doing a Monte Carlo simulation of protein chains of various lengths.

I change the densities of the simulation box.

In my experiment, I found that density has no effect on relaxation time.

Do you think this is plausible?

If not, what mistake should I look for?

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  • $\begingroup$ "Monte-Carlo simulation" really can mean anything that uses random numbers. Can you give some more detail on how in terms of physical models and computational algorithms you are simulating? $\endgroup$
    – Zaph
    Commented Mar 11 at 13:33
  • $\begingroup$ @Zaph, I am experimenting with a novel coarse-grained (CG) model of protein chains. The computational algorithm is plain old MCMC with some additional techniques for increasing randomness. This is my source paper.cmst.eu/wp-content/uploads/files/…. $\endgroup$
    – user366312
    Commented Mar 11 at 13:45
  • $\begingroup$ Well, how does time enter into your simulation? $\endgroup$
    – Jon Custer
    Commented Mar 11 at 13:51
  • $\begingroup$ @JonCuster, In my simulation, time simply means the MCMC steps. Relaxation time means the autocorrelation time for a protein chain. $\endgroup$
    – user366312
    Commented Mar 11 at 13:51
  • $\begingroup$ So the number of random interactions to get to some state is the same for two different densities? Which is what I would suspect. For different densities, the average time between interactions changes, not the number of interactions to do something. $\endgroup$
    – Jon Custer
    Commented Mar 11 at 13:57

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