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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