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Manuscript Title: TNAMD: Implementation of TIGER2 in NAMD
Authors: William J. Menz, Matthew J. Penna, Mark J. Biggs
Program title: TNAMD
Catalogue identifier: AEHH_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 181(2010)2082
Programming language: Tcl 8.5.
Computer: Clusters, workstations. Tested on Intel Clovertown, Atom.
Operating system: Linux, Windows (with Linux shell).
Has the code been vectorised or parallelized?: Yes. Parallelised with MPI
Keywords: Molecular dynamics, replica-exchange molecular dynamics, NAMD, TIGER2 method, Tool command language, free energy prediction.
PACS: 87.14.ef, 87.15.ap, 87.15.ak.
Classification: 3.

External routines: NAMD 2.6 (http://www.ks.uiuc.edu/Research/namd/)

Nature of problem:
Replica-exchange molecular dynamics

Solution method:
Replicas are assigned to unique processes, and pass through a series of cycles of heating, equilibration, quenching and sampling; after which temperatures are swapped between replicas.

Running time:
The test run can take up to twenty minutes.