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[ESPResSo-users] suitable r_cut for DPD

From: Narges Nikoofard
Subject: [ESPResSo-users] suitable r_cut for DPD
Date: Mon, 25 Jan 2016 15:30:10 +0330

Dear all,

I am doing a coarse-grained simulation on the self-assembly of specific peptides in explicit solvent.

I have used an existing model for coarse-graining amino acids and to find the Lennard Jones parameters for the CG beads. In this model, the cut-off radius for the LJ potential is defined to be 15 angstroms (four times the smallest bead).

Considering that in the simulations, the cut-off radius for the LJ is larger than 2^(1/6)*sigma, is it still suggested to use r_cut = 2^(1/6)*sigma for DPD?

I would be grateful if someone could kindly help me in this issue.

Many thanks in advance,
Narges Nikoofard

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