which mixrule should i use when im calculate E/P using FHLJ?
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when i finished defining the forcefield.def using FHLJ,is makegrid work around it?
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how can i editing mixrule.def with all FHLJ instead of editing forcefield.def ?
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Author Topic: David come here! Questions about FEYNMAN HIBBS LENNARD JONES calculation  (Read 22 times)


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Comehere David:

questions are mentioned above, specifically for question 3.
Can i use only LJ parameter, and mass of the atom in mixrule.def and then intense the use of FHLJ .So that the program will calculate the p1p2p3 it self ?