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[ESPResSo-users] Pronlems with FENE bond

From: Nairhita Samanta
Subject: [ESPResSo-users] Pronlems with FENE bond
Date: Mon, 31 Aug 2015 15:14:35 +0530

Hi all!
          I was trying to simulate a polymer with FENE bond conncting the monomers. But I am getting this error message
"Start warmup integration:
At maximum 30 times 100 steps
Stop if minimal distance is larger than 0.9
background_errors { ERROR: bond broken between particles 3 and 2. Distance vector:...."

Can anyone tell me where is the problem.

I am also putting here a small part of the code

inter 2 fene 7.0 2.0

append vtf_bonds "polymer"
polymer 1 $nummon $b_l mode RW bond 2
set pid 0
set start_pid $pid
for {set i 0} { $i < $nummon } {incr i} {
set posx [expr $b_l*rand()]
set posy [expr $b_l*rand()]
set posz [expr $b_l*rand()]

part $pid pos $posx $posy $posz type 1
   incr pid
set end_pid [expr $pid-1]
    append vtf_bonds "bond " $start_pid "::" $end_pid "\n"
set start_pid $pid  

Thanks in advance,
IIT Bombay

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