Hello,
I am trying to run a DPD simulation of a box with 3000 beads at 300 K.
The temperature (being set at the beginning) goes immediately to wrong values, .i.e. it either drops to 100-200 K or rises sharply to multiples (unless I carefully set the initial parameters).
Despite several days spent on reading manuals and tweaking parameters, I still do not understand what exactly is happening. I send the input and data files attached.
nafion.data (183 KB)
nafion.in (1.04 KB)
Hello,
I am trying to run a DPD simulation of a box with 3000 beads at 300 K.
The temperature (being set at the beginning) goes immediately to wrong
values, .i.e. it either drops to 100-200 K or rises sharply to multiples
(unless I carefully set the initial parameters).
Despite several days spent on reading manuals and tweaking parameters, I
still do not understand what exactly is happening. I send the input and
data files attached.
you are using two competing thermostats on your system. pair style dpd
includes its own thermostat, yet you are using fix nvt in addition. this
will create chaos.
axel.