Table I.
Name | Parameters | Guiding force1 | |
---|---|---|---|
SGMD (Wu & Wang 1998; 1999) 2 | λf, tL |
|
|
SGMDf | λf, tL |
|
|
SGMDp3 | , tL |
|
|
SGMDfp4 | , tL |
|
|
SGLD or SGLDp (Wu & Brooks 2003) (Wu & Brooks 2011b) | , tL, γi | ||
SGLDf | λf, tL, γi | ||
SGLDfp (Wu & Brooks 2011a) | , tL, γi |
the parameter, ξp, is an energy conservation factor to cancel the energy input from the guiding force and can be calculated by: . γ0 = 1/ps is a force converting factor.
In SGMD, only nonbonded forces, , are used to calculated the guiding force.
SGMDp is SGLD with γi = 0.
SGMDfp is SGLDfp with γi = 0.