Important update of scaleLJ

paduagroup / clandpol

Polarisable force field for ionic liquids

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Closed kateryna-goloviznina closed 3 years ago

kateryna-goloviznina commented 3 years ago

ScaleLJ script now can modify sigma not of the whole system but only for the specified fragments

kateryna-goloviznina commented 3 years ago

@agiliopadua Any other comments? Can I merge?