[gmx-users] CNT-protein interaction

Robert Johnson bobjohnson1981 at gmail.com
Fri May 11 02:36:01 CEST 2007

Just take the coordinate files for the protein and the nanotube, cat
them together and then edit the resulting file. Then you can solvate
the composite system using genbox.

On 5/10/07, George Abadir <georgea at ece.ubc.ca> wrote:
> Hi,
>      I have built a topology file for a protein and a topolgy file for a
> carbon naontube. I am trying to combine them by solvating the protein in
> water and inserting the CNT molecule using the -ci option with genbox.
> However, when I view the resulting file, I can only see the protein in
> water and the CNT is not there. Can anyone help with that?:)
>      Thank you vey much in advance,
> Regards,
> George
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