From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Mar 10 2011 - 04:43:37 CST
you left out the improper definitions.
FYI, in VMD 1.9 this feature is included in the
nanotube plugin though the GUI.
On Thu, Mar 10, 2011 at 3:10 AM, Ranyere Deyler <ranyere_at_gmail.com> wrote:
> For simulating Nanotubes, you don't need a topology file. You just have to
> use "topotools 1.1" that it can handle the creation of the psf file just
> fine. Search for the help of the topotools 1.1 on google, and there you'll
> find out how to obtain the psf file, you'll just tell it to guess the bonds,
> angles and dihedrals, and then you just "writepdb" and "writepsf", and it's
> good to run on NAMD. Take a look on the help!
> Ranyere Deyler Trindade
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:54 CST