[gmx-users] Forcefield with halogen bonding treatments
dario.corrada at gmail.com
Wed Feb 19 10:36:04 CET 2014
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
Dario CORRADA, PhD
Bioinformatics and Computational Chemistry specialist
mail.....: dario.corrada at gmail.com
tel......: +39 333 5347024
address..: via Benvenuto Cellini, 4 - 20900 Monza IT
"When you have eliminated the impossible, whatever remains, however improbable, must be the truth."
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