I have construct two table files: table_b0.xvg for A-A bond, table_b1.xvg for B-B bond. and generated the bonds part of the topology file like this: [ bonds ] ; ai aj funct table_number k 1 2 8 0 1.000 2 3 8 0 1.000 ...... 55 56 8 1 1.000 56 57 8 2 1.000 ...... as force constant k is a function, so I set k = 1.000 and combine it with f.
Am I correct? Thank you very much. I really appreciate your help, Justin. -- * Jia Haitao State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022, CHINA *
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