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.corr...@gmail.com skype....: dario.corrada 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." [A.C. Doyle] -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
