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How to get the parameters of Lennard-Jones potential? #7
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Hi,
I am new to QuickFF and try to fit a suite parameters for my system. Following by the examples in QuickFF/share/systems, I can get parameters of covalent interactions and electrostatic contribution easily. However, as for Van der Waals part (no matter LJ or MM3), there are little descriptions. As help informations say:
Another Yaff parameters file is needed, then I read the documents of Yaff and check the examples in Yaff. I am still confused how to get the parameters of Van der Waals interactions. Can you show me some tips or give me a example.
Thank you.
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