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modified weighted_densities looking for error that makes all densitie…
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…s identical
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rsexton2 committed Feb 16, 2024
1 parent dc31626 commit 8f05b66
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion basicrta/weighted_density.py
Original file line number Diff line number Diff line change
Expand Up @@ -108,7 +108,7 @@ def weighted_densities(self, step=1):

for k in range(self.gibbs.processed_results.ncomp):
frames = np.where(wi[sortinds[k], k] > 0)[0]
tmpwi = wi[frames]
tmpwi = wi[frames, k]
d = WDensityAnalysis(chol_red, tmpwi,
gridcenter=u_red.select_atoms(f'protein and '
f'resid {resid}')
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