input with periodic boundary conditions

coarse-graining / cgnet

learning coarse-grained force fields

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input with periodic boundary conditions #123

Closed euhruska closed 5 years ago

euhruska commented 5 years ago

Is it correct that cgnet assumes no periodic boundary conditions? For input coordinates with periodic boundary conditions, the distance calculations would be wrong.

brookehus commented 5 years ago

Correct, there is currently no support for periodic boundary conditions with respect to distances.