[gmx-users] how can i choose combination rules in Lennard-Jones interaction

主月 :) jiqing at iccas.ac.cn
Thu Dec 22 10:54:52 CET 2005

Hi everyone:
The Lennard-Jones interaction in GMX has two parameters.C(12)ij and C(6)ij or Eij and rij .I want to set different value for them but the value should set to C(12)ij and C(6)ij or Eij and rij .

And the two types of combination rules can be used within GROMACS, how can i choose them ?

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