Phys. Rev. E 56, 4553–4556 (1997)Design of force fields from data at finite temperatureReceived 18 April 1997; revised 20 June 1997; published in the issue dated October 1997 We investigate the problem of how to obtain the force field between atoms of an experimentally determined structure. We show how this problem can be efficiently solved, even at finite temperature, where the position of the atoms differs substantially from the ground state. We apply our method to systems modeling proteins and demonstrate that the correct potentials can be recovered even in the presence of thermal noise. © 1997 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevE.56.4553
DOI:
10.1103/PhysRevE.56.4553
PACS:
87.15.By, 34.20.Gj
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