[gmx-users] Carbon Nanotube Simulations
Mark.Abraham at anu.edu.au
Tue Mar 27 03:17:49 CEST 2007
George Abadir wrote:
> 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.
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