Hi,everyone
I used Voronoi method to build a nano copper structure which has high energy.Then I set its temperature to 0.01k,then relax it through ‘fix nvt 0.01 0.01 100 drag 2.0’.After 200ps,its structure gets stable.And now I want to heat up it,first I rescale its temperature to 10k,then relax it under nvt but it doesn’t work.I also tried some ohter method,for examble not rescale ,just fix nvt or relax under npt essemble,but all does not work,I can’t get a stable structure whose temperature is higher.
What you want to do should be possible. You'll have to give
more details when you say "it doesn't work".
Steve