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. Author manuscript; available in PMC: 2014 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2013 Aug 13;9(8):3267–3281. doi: 10.1021/ct400331r

Table 1.

Comparison of relative performance of OpenMM LTMD vs GROMACS on a 6-core CPU and OpenMM Langevin for four protein systems of different sizes.

Proteins Speed Up of OpenMM LTMD vs
Name Number of Atoms OpenMM Langevin GROMACS
Villin NLE 582 2.9× 38.5×
BBL 707 4.8× 33.6×
NTL9 881 5.2× 37.9×
Lambda Repressor 1251 5.8× 49.7×