[gmx-users] gas adsorption on CNT

[Mark Abraham]

On 24/01/10 18:16, leila karami wrote:
> Hi,I want to simulate  gas adsorption on finite  CNT. Does CNT be
> flexible or rigid? which is better?  thanks

... whichever models the real conditions better. The only way we'd know 
would be by doing such work or reading about such work. Either way, 
you'll do best to read what literature exists and then to assess your 
individual needs.

Mark