An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints
- Echenique, P.
- Cavasotto, C.N.
- de Marco, M.
- Garca-Risueño, P.
- Alonso, J.L.
Zeitschrift:
PLoS ONE
ISSN: 1932-6203
Datum der Publikation: 2011
Ausgabe: 6
Nummer: 9
Art: Artikel
