qwrap

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Correcting there unwrapping algorithm

2

The heuristic unwrapping method leads to unwrapping errors in long NPT trajectories, where atoms traversed multiple periodic boxes. We developed and implemented a new unwrapping algorithm based on the displacement...

kulkem

Dear Prof Hénin, I have a question about qwrap. Is this suitable for membrane proteins? because this is a rectangular box. Geo.

groponp