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[ESPResSo] cacth command & Bond Broken

From: Salvador Herrera Velarde
Subject: [ESPResSo] cacth command & Bond Broken
Date: Tue, 23 Mar 2010 11:51:53 -0600


I have a system where one of the molecules is a large chain of beads (>2000) connected by harmonic bonds.
I am using  tabulated potentials, harmonic, angle and dihedral potentials. To simulate this system I am using 16 processors
but I would like to increase the number of processors. I tried to increase it, but the problem of bond broken is always there.

I found a similar problem in the mail list:
but, I don't know how to use the "catch" command suggested in that post and how to print the distance between the offending particles.
I read the user guide and the tcl command:
if {[catch {set ?? } errmsg]} {
puts "Failed - $errmsg"
} else {
puts "Succeeded and result is $doubled"
but I couldn't figure out how to use with ESPResSo.  Any guidance would be greatly appreciated.

Besides, I tried the option of increase the r_cut in harmonic bond:  lappend bonded_parms [list 27 harmonic 110.0 1.0 2.0]
I tried with r_cut=2.0 and even with r_cut=5.0 but still the same problem. Any suggestion?

Thanks a lot for your time and help.



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