From: Courtney F. <cf...@ya...> - 2014-07-16 18:37:12
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Hello! I am currently trying to make a molecule with a nitro group. I figured out how to put charges on my nitrogen and on my single bonded oxygen, but the problem is when I go to make a GAMESS input file. My single bonded oxygen becomes double bonded and I loss my charges. (The extra bond could just be a proximity bond so that is not a major concern.) Is there a way to keep my charges? Also, anytime I try to manipulate the .inp file directly the same thing happens. Any thoughts? |