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README
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TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry
and reaction kinetics. It uses a Hessian computation from a standard
computational chemistry program as its input. CHARMM, CP2K, CPMD, GAMESS,
GAUSSIAN, QCHEM and VASP are supported. Multiple methods are implemented to
perform a normal mode analysis (NMA). The frequencies from the NMA can be used
to construct a molecular partition function to derive thermodynamic and kinetic
parameters.
More information about TAMkin can be found on the CMM Software website:
http://molmod.ugent.be/software/
TAMkin is distributed as open source software under the conditions of the GPL
license version 3. Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/