Regarding packmol

[surajmec]

Sir
How to use packmol in VNL software

[Ulrik G. Vej-Hansen]

You open the plugin from the list in the Builder, and then you drop the desired MoleculeConfiguration(s) on the window and fill out the fields. Just follow the instructions in the widget. Do you have any specific questions?

[surajmec]

Do i need to install Packmol software separately.Because the Packmol plugin in VNL is not highlighting anything.From where shall i drag and drop the configurations.

[Ulrik G. Vej-Hansen]

No, you do not need to install packmol separately, everything is shipped with VNL. You need to drag the configurations from the stash of the Builder. So if you want to make an amorphous supercell of water molecules, you need to first create the water molecule in the Builder.

[surajmec]

sir
I want to create polymer-CNT composite. How can i do it.I tried with the interface option but it is not taking propene molecule.What should i do.

[Ulrik G. Vej-Hansen]

Well, that depends on what you need. The simplest way is to simply drop both CNT and polymer molecules on the packmol window and specifying the number of each that you want. So you can put in one big CNT and lots of the other molecule if you want to simulate a CNT in a solvent for example.