[Pw_forum] classical potential MD simulation

2011-02-19 Thread sakthi kumaran 
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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[Pw_forum] limit on atom count to compute total energy

2011-01-14 Thread sakthi kumaran 
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
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