I want to frozen the Cartesian coordinates of a DNA molecule during geometry optimization using Firefly 8.0.0. Can Firefly 8.0.0 frozen 363 coordinates? Attached please find the input file for your information.
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[ B3LYP-AG-geom.inp ]
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Sun Jan 4 '15 8:29am![[ Reply ]](/ceilidh-icons/ceil_rep.gif){kind=icon}
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