[Pw_forum] classical potential MD simulation

sakthi kumaran persakthi at gmail.com
Sat Feb 19 07:28:17 CET 2011


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
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