[Towhee-users] Transition state simulation

[Marc S. <ma...@fq...>]

Hi all

 I want to solvate a transition state using towhee, that is minimize 
energy around TS, but distances don't fit with classical forcefield , 
there is some forcefield which is better suitable for this purpose ?
 The system is an anisol molecule reaction with OH, in water.
 Thanking in advance your guide

 Best Regards

 Marc

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Marc E. Segovia Becker, PhD,Ch.Eng
Computational Chemistry and Biology Group, Detema
Facultad de Quimica
Universidad de la Republica
CC 1157A
11800 Montevideo
Uruguay
www.ccbg.fq.edu.uy
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