What does the data print out from command pt.matrix.dist(traj,'@CA') represent?

Amber-MD / pytraj

Python interface of cpptraj

https://amber-md.github.io/pytraj

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Closed TianmingQu closed 2 years ago

TianmingQu commented 2 years ago

the data length equals to the number of CA atoms in the pdb file, i am confused about what these data represent?

hainm commented 2 years ago

the data length equals to the number of CA atoms in the pdb file, i am confused about what these data represent?

Hi, per @drroe explained: The values are the average distance between the given atom pair over all frames.