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Cannot generate ions about ligpargen HOT 2 OPEN

marcodigennaro avatar marcodigennaro commented on August 21, 2024
Cannot generate ions

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Comments (2)

amani739861 avatar amani739861 commented on August 21, 2024

Hello, did you got the parameters for ions? I can not get paramters for any ions. Is this program capable of providing parameters for ions? thanks

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edt0299 avatar edt0299 commented on August 21, 2024

You use the charged molecule option and choose the correct total charge for the molecule from the drop-down. In the case you mentioned, you'd choose " - 1 ". This works for larger molecules with a charged atom like the negatively charged nitrogen in your example, but to my knowledge, it's impossible to do this for ions by themselves, like chloride or bromide.

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