Hi everyone, Recently, I met a problem on the force-field. I am doing something on the calcium carbonate, and want to simulation it with gromacs. The shell model for oxygen has been emploied in my system. When I considered the non-boned potential associated with interactions between atoms in the same CO3 group, I only need to take O-O buckingham interaction into account, but any electric interaction. How could I realize that in my .top file. First, I tried to use [pairs] to eliminate electric interaction, but I can't add the buckingham interaction of O-O because there is no buckingham options for LJC14. I want to know if anyone of you have such the experience. Thanks!!
BEST Shijun XIAO
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