[gmx-users] carbon nanotube - ifnite in length ?

Steven Neumann s.neumann08 at gmail.com
Thu Sep 26 14:39:08 CEST 2013

Dear Gmx Users,

I have my carbon nanotube and I wish to make it infinite in lenght. Which
mdp options whall be used? pbc = xy and z is the infinite dimension?
another issue: Would you apply bonds between carbon atoms within the
nanotube or constraints using LINCS? Which of them is less computationally
expensive for the run?

Thank you in advance,


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