Dear all,
I have a simple question about the output of binding free energy
decomposition. I calculated Per-residue energy decomposition for
specific residues with mmpbsa.py and I got the FINAL_DECOMP_MMPBSA.dat
file.
DELTAS:
Total Energy Decomposition:
Residue | Location | Internal | van der Waals |
Electrostatic | Polar Solvation | Non-Polar Solv. |
TOTAL
-------------------------------------------------------------------------------------------------------------------------------------------------------
LEU 18 | R LEU 18 | 0.000 +/- 0.000 | -2.968 +/- 0.505 |
-0.436 +/- 0.232 | 3.215 +/- 0.453 | 0.000 +/- 0.000 | -0.189
+/- 0.583
GLU 20 | R GLU 20 | 0.000 +/- 0.000 | -1.521 +/- 0.431 |
-0.527 +/- 1.684 | 0.859 +/- 1.585 | 0.000 +/- 0.000 | -1.189
+/- 0.539
Then here is my question, Does the value after +/- sign stand for
standard deviation of the calculated energy, or standard error instead?
Thanks & regards
Wei Liu
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Received on Mon Sep 14 2015 - 23:30:03 PDT
