[gmx-users] Carbon Nanotube Simulations

[Mark Abraham]

George Abadir wrote:
> Hi,
>     I am using Tubegen to generate a PDB file for carbon nanotubes. When 
> I use the "x2top" command I get an error :"Library file ffG43a1.n2t not 
> found in current dir nor in default directories". The same error is 
> repeated with every other force field. Where can I find this file or how 
> can I get around this problem? Your help is much appreciated.

I think this means you haven't set up your environment. In the gromacs 
binary directory there's a file GMXRC that you need to "source" to set 
up various variables to help gromacs find things.

Mark