[gmx-users] Forcefield with halogen bonding treatments

[Dario Corrada]

I am looking for a forcefield which better characterize the TCDD ligand.

In particular I have found that OPLS-AAx seems suitable [J Chem Theory 
Comput. 2012 Oct 9;8(10):3895-3801].

Unfortunately, the authors told me to contact the GROMACS community for 
the specific implementation.

Do you konw something about it? Could you suggest me alternatives for 
halogen bonding treatment

Thanks,
D.

-- 
Dario CORRADA, PhD
Bioinformatics and Computational Chemistry specialist

URL......: http://it.linkedin.com/in/dariocorrada/
mail.....: dario.corrada at gmail.com
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"When you have eliminated the impossible, whatever remains, however improbable, must be the truth."
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