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Manuscript Title: TiReX: Replica-exchange molecular dynamics using TINKER
Authors: Evgeni S. Penev, Sotiria Lampoudi, Joan-Emma Shea
Program title: TiReX
Catalogue identifier: AEEK_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 180(2009)2013
Programming language: Fortran 90/95.
Computer: Most UNIX machines.
Operating system: Linux.
Has the code been vectorised or parallelized?: parallelized with MPI
Keywords: Molecular dynamics, replica-exchange method, TINKER molecular modeling package, MPI, FORTRAN 90/95.
PACS: 01.50.hv, 02.70.Ns, 87.15.A.
Classification: 16.13.

External routines: TINKER version 4.2, built as a library

Nature of problem:
Replica-exchange molecular dynamics.

Solution method:
Each replica is assigned to a separate process; temperatures are swapped between replicas at regular time intervals.

Running time:
The sample run may take up to a few minutes.