[ESPResSo-users] failed to tune P3M paremeters to required accuracy

[roya moghaddasi]

Dear Stefan,

What do you mean by saying "In every increment, you should simulate a bit." and "By feeling I'd say 30 increments of 0.1 and 100 MD steps in between could be enough."? Do you mean I should integrate after each coulomb interaction like this:

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]
integrate 100
}

Could you please explain it more?

best,

Roya