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Update to use .nc files instead of .binpos
1 parent 39b440e commit 9617f14

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Lines changed: 2 additions & 2 deletions

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PCA_analysis_of_MD_simulations-1.ipynb

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -28,8 +28,8 @@
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"import nglview as nv\n",
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"\n",
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"# Load the data for the wt and irhy simulations:\n",
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"t_wt = mdt.load('data/wt_ca.binpos', top='data/wt_ca.pdb')\n",
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"t_irhy = mdt.load('data/irhy_ca.binpos', top='data/irhy_ca.pdb')\n",
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"t_wt = mdt.load('data/wt_ca.nc', top='data/wt_ca.pdb')\n",
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"t_irhy = mdt.load('data/irhy_ca.nc', top='data/irhy_ca.pdb')\n",
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"# Combine the two sets of trajectory data into one trajectory:\n",
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"trajdata = t_wt.join(t_irhy, check_topology=False)\n",
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"view = nv.show_mdtraj(trajdata)\n",
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