Gromacs
2024.3
|
Functions | |
t_iparams | makeUnperturbedBondParams (real rA, real kA) |
Helper function. | |
t_iparams | makePerturbedBondParams (real rA, real kA, real rB, real kB) |
Helper function. | |
t_iparams | makeUnperturbedLJ14Params (real c6A, real c12A) |
Helper function. | |
t_iparams | makePerturbedLJ14Params (real c6A, real c12A, real c6B, real c12B) |
Helper function. | |