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[ESPResSo-users] analyzing chains with different lengths


From: Alexandre Diehl
Subject: [ESPResSo-users] analyzing chains with different lengths
Date: Fri, 22 Apr 2016 15:55:12 -0300

Hi.

I'm trying to simulate a solution containing surfactants (n_mol_surf is the number of such molecules) and copolymers (n_mol_cop is the number of such molecules). The surfactants are n_monomers_surf in length and the copolymers are n_monomers_cop in length. To insert the surfactants I use:

for { set i 0 } { $i < $n_mol_surf } { incr i } {

    set posx [expr $boxl*[t_random]]
    set posy [expr $boxl*[t_random]]
    set posz [expr $boxl*[t_random]]
   
    polymer 1 $n_monomers_surf $sig_monomer_surf start [expr $i*$n_monomers_surf] pos $posx $posy $posz
mode PSAW charge $head_charge \
    distance $n_monomers_surf type [expr $monomer_surf + $i] $head_surf FENE $fene

    set molid $i

    for { set j 0 } { $j < $n_monomers_surf } { incr j } {
    part [expr $j + $i*$n_monomers_surf] mol $molid
    }
}

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