Dear sakthi kumaran, It's not possible to perform classical molecular dynamics in Quantum Espresso now. QE can do ab-initio molecular dynamics: Car-Parrinello Molecular Dynamics and Born-Oppenheimer Molecular Dynamics.
PS. Next time please take a few seconds to sign your post with your affiliation. Best wishes, Changru On 19 Feb, 2011, at 07:28, sakthi kumaran wrote: > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Changru Ma SISSA & Theory at Elettra group email: crma at sissa.it tel: +39 040 375 8713 (Elettra) +39 040 378 7870 (SISSA) http://www.sissa.it/~crma ---
