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Biomolecular simulation trajectory/data analysis.
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Distribution of the tetrahedral order parameter Q for TIP4P/2005 #1044

Open Saqlain5565 opened 1 year ago

Saqlain5565 commented 1 year ago

Hello,

I want to get the Distribution of the tetrahedral order parameter Q for TIP4P/2005 water model.

I have run NPT and have eq_npt.nc trajactory file and wtr_1.prmtop as topology file.

what will be the cpptraj script to get Distribution of the tetrahedral order parameter Q ?