Dear Amber Community,
I am confused over why the self-correlation of the motion vectors for a residue appears to come out as zero using the below command in cpptraj:
atomiccorr :262,562,553 out acorr.gnu byres
The gnu output I get gives (where I’ve bolded the relevant lines that have me confused):
1.000 1.000 0.0000
1.000 2.000 -0.0299
1.000 3.000 -0.0257
1.000 4.000 0
2.000 1.000 -0.0299
2.000 2.000 0.0000
2.000 3.000 -0.0173
2.000 4.000. 0
3.000 1.000 -0.0257
3.000 2.000 -0.0173
3.000 3.000 0.0000
3.000 4.000 0
4.000 1.000 0
4.000 2.000 0
4.000 3.000 0
4.000 4.000 0
Best,
Matthew
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Received on Wed Aug 04 2021 - 17:00:03 PDT
