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. Author manuscript; available in PMC: 2011 Apr 30.
Published in final edited form as: J Comput Chem. 2010 Apr 30;31(6):1268–1272. doi: 10.1002/jcc.21413

Table 4.

Performance of simulating lambda repressor with explicit solvent using three different CPU based molecular simulation packages.

Program Computation Time (sec) ns/day GPU Speed Advantage
NAMD 2.6 11682 0.74 28
AMBER 9 24653 0.35 59
Gromacs 4 8058 1.07 19