Dear Stefan,
The bjerrum length is 3.0. When I use 3.0 for bjerrum length in my system the error: bond broken between particle ... occurred. I mailed the mailing list about this problem and they said I should gradually increase the bjerrum length, so I wrote this loop:
set bj 0.001
for {set b 1} {$b<3000} {incr b} {
set bj [expr $bj+0.001]
puts [inter coulomb $bj p3m tune accuracy $accuracy]
puts "$bj"
}
During running, the error: failed to tune P3M parameters to required accuracy stopped the program, then I decrease the accuracy and I didn't face this error again, but the error : bond broken between particles occurred again. I
don't really know what to do next. Do you think the problem is because of FENE potential?
Thank you again
best,
Roya