Hi,

I am trying to calculate the diffusivity of water in the presence of CNT's using Dynamics in Mesocite.

To build a model for a coarse-grained CNT, I would like to use the model developed by De Vane et al (J. Phys. Chem. B 2010, 114, 6386–6393), who used the CG mapping for benzene shown in the following figure

and whose CG/AA carbon mapping ratio is 2:3:

:

Afterwards, the same authors used this mapping to construct CG models for fullerene and CNT's (J. Phys. Chem. B 2010, 114, 6394–6400).

Does anybody know how  I can use the building tools in Materials Studio to construct these models?

Thanks in advance.

Regards

Isabel