|Subject:||[ESPResSo-users] conservative force in DPD|
|Date:||Tue, 27 Nov 2012 22:37:38 +0800 (CST)|
We constructed a system containing TATB molecule (typed 0) and F2313 polymer (typed 1). We used the DPD methods to describe the interaction between beads 0 and 1. In DPD simulation, the contribution of conservative force defined as follow:
It should be a soft repulsion.
The dissipative force and stochastic force can be depicted by the given parameters of gamma and r_cut in dpd command (inter 0 1 inter_dpd $gamma $r_cut $wf $tgamma $tr_cut $twf). Our question is that how to obtain and link the conservative term (aij) to the interaction parameters (such as ε, σ, rcut, cshift and roff) if we choosed the lennard-jones potential to represent the conservative contribution. Thanks for your response.
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