Hello,
Can someone give me a quick run down of the differences in prd, tad and temper while I pick through the papers?
The reason I ask is that I’m calculating polymer/silica interface binding energies and currently running simulated annealing to relax the interface on several initial geometries. This works for the most part, but I was wondering if one of the replica exchange methods would help in finding low energy conformations?
Thanks for the help,
Corey
Hello,
Can someone give me a quick run down of the differences in prd, tad and temper while I pick through the papers?
please read the LAMMPS documentation.
The reason I ask is that I’m calculating polymer/silica interface binding energies and currently running simulated annealing to relax the interface on several initial geometries. This works for the most part, but I was wondering if one of the replica exchange methods would help in finding low energy conformations?
after reading through the corresponding manual sections, you should quickly be able to exclude two of the methods you listed.
axel.