[gmx-users] Transition State Optimization Algorithms in GROMACS

[Dr Seth Carlton OLSEN]

Dear Collegues,

Is there a transition state optimization algorithm available for use with the GROMACS package?  If so, are there examples of its use in the literature?  

Cheers,

Seth Olsen

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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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