Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes on resea.org. DOI 10.1016/0021-9991(77)90098-5. Jean-Paul Ryckaert,…
Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen