[gmx-users] Binary lennard jones

[Mark Abraham]

On 12/12/2010 6:08 PM, leila separdar wrote:
> I want to simulate a binary lenard jones system. I have .top and .gro 
> file for both A and B atom types . how can I mix this two atom types ? 
> do I must regard the lenard jones potential between this two atom type 
> or not? and where I must put C12 and C6 parameters for interaction 
> between these two atoms?

Have you done the necessary background reading in chapters 4 and 4 of 
the manual?

Mark