An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints

  1. Echenique, P.
  2. Cavasotto, C.N.
  3. de Marco, M.
  4. Garca-Risueño, P.
  5. Alonso, J.L.
Journal:
PLoS ONE

ISSN: 1932-6203

Year of publication: 2011

Volume: 6

Issue: 9

Type: Article

DOI: 10.1371/JOURNAL.PONE.0024563 GOOGLE SCHOLAR lock_openOpen access editor

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