. 2005 Feb 28;102(10):3552–3557. doi: 10.1073/pnas.0409047102

Table 3. Constraint dependence for WT at T = 310 K and E_tun = - 10.8 eV.

Structural constraints	R_coh	ε_R_{_coh}	τ_coh, fs	ε_{τ_coh}, fs
None	0.12	0.08	34.9	15.2
SHAKE (all bonds)	0.08	0.11	39.1	21.1
SHAKE (bonds with hydrogens) and all valence angles	0.06	0.14	68.5	44.5

Table 3. Constraint dependence for WT at T = 310 K and Etun = - 10.8 eV.