[gmx-users] Transition State Optimization Algorithms in GROMACS

Dr Seth Carlton OLSEN s.olsen1 at uq.edu.au
Thu Aug 26 07:55:00 CEST 2004

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?  


Seth Olsen


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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