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linfranksong / Input_TI

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TI analysis #5

Open DDGmichigan opened 4 years ago

DDGmichigan commented 4 years ago

Hi Lin, I completed one TI calculation and thanks for the help I have a question Did you use softcore potentials for the decharging steps? Thanks

sastrys1 commented 2 years ago

Looking at this repository, it looks like they did. According to Amber manual 21 page 469, when flag ifsc is set to 1, then softcore potentials are used.