Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Multicanonical molecular dynamics by variable-temperature thermostats
  and variable-pressure barostats   Sampling from flat energy or density distributions has proven useful in
equilibrating complex systems with large energy barriers. Several thermostats
and barostats are presented to sample these flat distributions by molecular
dynamics. These methods use a variable temperature or pressure that is updated
on the fly in the thermodynamic controller. These methods are illustrated on a
Lennard-Jones system and a structure-based model of proteins.

12
The categories of this paper are: nucl-th
28
The categories of this paper are: alg-geom
5
The categories of this paper are: gr-qc
29
The categories of this paper are: funct-an
37
The categories of this paper are: supr-con
2
The categories of this paper are: math
13
The categories of this paper are: quant-ph
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg
27
The categories of this paper are: comp-gas
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
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The categories of this paper are: patt-sol
26
The categories of this paper are: bayes-an
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The categories of this paper are: solv-int
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The categories of this paper are: eess