Hi,
My questions is which ensemble could be used in friction simulation??
I used the NVT run it,what about it?.
I hope geting some advices.
Thanks!
2008.4.2
MARK.H
NVT is good since you want to compensate for added/subtracted
KE due to friction. But you'll need to compute temperature
and thermostat correctly. See the doc pages for the various
commands for details.
Steve
2008/4/1 MARK. H <[email protected]...>: