Dear All Suppose I determined partial charges on atoms of my molecules. How can I make charge groups of them? For example I have a drug of 50 atom(of course along with it's hidrogenes), and all of my data for charges are as 1.3465728 (suppose they are accurate and different to eachother)
Is it possible to make charge groups with zero net charge? How?How can I learn these? Is there any server to do this for me? Thanks in advance for your guide.
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