Skip to main content
. Author manuscript; available in PMC: 2012 Oct 15.
Published in final edited form as: J Comput Chem. 2011 Apr 15;32(10):2319–2327. doi: 10.1002/jcc.21787

Table 1.

Benchmark of standard analysis tasks using various analysis software packages

MDAnalysis VMD CHARMM Gromacs

Distances (3x) 1.04 s 4.81 s 2.22 s 14.71 s
Dihedrals (2x) 0.80 s 2.40 s 2.15 s 11.92 s
RMSD 29.10 s 4.29 s 5.09 s 32.18 s
Radius of Gyration 10.16 s 12.58 s 12.10 s 16.87 s
Radial Distribution 21 m 24 s 10 m 38 s 7 m 1 s 6 m 6 s
3-dimensional Density 1 m 32.31 s 5 m 52.37 s * 16.93 s
*

Currently not implemented within CHARMM as a stand-alone calculation.