[gmx-users] Binary lennard jones

[leila separdar]

yes I have read them many times

On Sun, Dec 12, 2010 at 10:41 AM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> 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
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