[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-users] inter forcecap individual

From: roya moghaddasi
Subject: [ESPResSo-users] inter forcecap individual
Date: Sun, 23 Mar 2014 05:57:02 -0700 (PDT)

Hello every body,
As I said before I have a cylinder constraint with 40 polymers of 100 length and 4000 counterion  and 400 salt ions in it.
There are WCA interactions between all the particles with each other and all the particles with the constraint. I want to cap the lj interactions and I have 2 questions:
1. Is it necessary not to cap the LJ interactions between all particles and the cylinder or it is optional?
2. I used the following code for forcecapping and I got the error: bond broken between particles....
inter forcecap individual
for {set i 0} { $act_min_dist < $min_dist } {incr i} {
    set capradius [expr 1.0 - 0.5*$i/10.0]
    for {set k 0} { $k <= $max_part_type } {incr k} {
    for {set j $k} { $j <= $max_part_type } {incr j} {
    inter $k $j lennard-jones $particle_epsilon $particle_sigma $particle_cutoff $particle_shift 0 $capradius
    integrate 10000
    set act_min_dist [analyze mindist]
I would appreciate if anyone can help me.

reply via email to

[Prev in Thread] Current Thread [Next in Thread]