Free energy evaluation in the canonical molecular dynamics ensemble

By Brańka A.   Parrinello M.  

Molecular Physics, Vol. 58, Iss. 5, 1986-08 ,pp. : 989-993

Taylor & Francis Ltd

Access to resources Recommend Favorite

The free energy of a reaction coordinate at multiple constraints: a concise formulation

By Schlitter Jürgen   Klähn Marco  

Molecular Physics, Vol. 101, Iss. 23-24, 2004-01 ,pp. : 3439-3443

Taylor & Francis Ltd

Access to resources Recommend Favorite

Stochastic, resonance-free multiple time-step algorithm for molecular dynamics with very large time steps

By Leimkuhler Ben   Margul Daniel T.   Tuckerman Mark E.  

Molecular Physics, Vol. 111, Iss. 22-23, 2013-12 ,pp. : 3579-3594

Taylor & Francis Ltd

Access to resources Recommend Favorite

Andersen's canonical-ensemble molecular dynamics for molecules with constraints

By Ryckaert J-P.   Ciccotti G.  

Molecular Physics, Vol. 58, Iss. 6, 1986-08 ,pp. : 1125-1136

Taylor & Francis Ltd

Access to resources Recommend Favorite

Special geometrical constraints in the molecular dynamics of chain molecules

By Ryckaert J.P.  

Molecular Physics, Vol. 55, Iss. 3, 1985-06 ,pp. : 549-556

Taylor & Francis Ltd

Access to resources Recommend Favorite