Design of Force Fields from Data at Finite Temperature

Details Design of Force Fields from Data at Finite Temperature Design of Force Fields from Data at Finite Temperature

1996-09-11

arxiv.org/abs/cond-mat/9609097v1

Physics

Condensed Matter

10 pages, 1 postcript figure, Latex

Scientific paper

10.1103/PhysRevE.56.4553

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.

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