[Pw_forum] classical potential MD simulation

Dear all, Is it possible to compute the interaction between two capped nanotubes facing each other using classical LJ12 potential using Molecular dynamics technique in Quantum espresso.If possible what is the procedure for doing so. Thank you guys in advance -- next part

[Pw_forum] limit on atom count to compute total energy

Dear all Is there any open source molecular dynamics tool to get to know the energy of the 3000 atom count.Any open source molecular dynamics tool suggestions are favourable Thank you, Kind regards, Sakthi -- next part -- An HTML attachment was scrubbed... URL: