LINCS

The acronym LINCS stands for the Linear Constraint Solver.  It is a method to apply holonomic constraints to bonds in molecular dynamics simulations, allowing the user to employ a larger timestep.  The LINCS algorithm was recently parallelized to allow constrained molecules to be split across multiple processors.  This newer P-LINCS algorithm is implemented in GROMACS 4.0 and has contributed to the speed increase in this new version.