VMD-L Mailing List

From: t.shivam_at_iitg.ernet.in
Date: Fri Mar 09 2018 - 02:04:47 CST

> Dear all,
>
> I have built a new carbon nanotube using vmd. I have got the pdb and psf
> file of this system after solvation. For the minimization of it, how can I
> get the parameter file? I am using namd.
>
> Regards,
> Shyam
>

you can get the parameters for carbon nanotube in the tutorials -
http://www.ks.uiuc.edu/Training/Tutorials/
under the title - Simulation of Water Permeation through Nanotubes.
here are the individual files of tutorials -
http://www.ks.uiuc.edu/Training/Tutorials/science/nanotubes/files/