Hi,
I would like to know how to define the spring constant and the equilibrium bond length(req) for a DPD run.
In ref[1], it is stated that 'The spring constant is chosen such that the mean distance between connected particles coincides with the point where the pair correlation function has its maximum'
However, pair correlation function is plotted once the DPD simulation is completed.To perform a DPD run, it is essential to give the spring constant and req as input. Is this an iterative procedure or is there any other method do find out the right values of the spring constant and req.
Ref[1]: http://www.nada.kth.se/~szepessy/mc_sde/dpd1.pdf
Hoping to get some help.
I would like to know how to define the spring constant and the equilibrium bond length(req) for a DPD run.
In ref[1], it is stated that 'The spring constant is chosen such that the mean distance between connected particles coincides with the point where the pair correlation function has its maximum'
However, pair correlation function is plotted once the DPD simulation is completed.To perform a DPD run, it is essential to give the spring constant and req as input. Is this an iterative procedure or is there any other method do find out the right values of the spring constant and req.
Ref[1]: http://www.nada.kth.se/~szepessy/mc_sde/dpd1.pdf
Hoping to get some help.
