LINCS: A linear constraint solver for molecular simulations - Hess, Bekker, et al. - 1997 () Citation Context ...ere treated using the particle mesh Ewald algorithm (49) with a real space cutoff of 10 A虋, the same as for van der Waals interactions. The pair list was updated every ...
In this article, we present a new LINear Constraint Solver (LINCS) for molecular simulations with bond constraints. The algorithm is inherently stable, as the constraints themselves are reset instead of derivatives of the constraints, thereby eliminating drift. Although the derivation of the algorith...