[gmx-users] hexafluoroisopropanol

[Nur Syafiqah Abdul Ghani]

Hi Guys,

Need your help urgently.
I already read a lot of paper about molecular dynamics simulation
which relate work as mine.The main point is to create the mix solvent.
The co-solvent is hexafluoroisopropanol and a lot of researcher cited
the journal name "1,1,1,3,3,3-hexafluoro-propan-2-ol for molecular
dynamics simulations" by Fioroni.

So my question,is the molecule already have a pdb structure?Have
anyone dealing with this compound?
Because im currently lost due to my HFIP pdb is wrong and the atom
type of F is not recognized and the force field i used is OPLSAA but
right now i think i need to change it to the
GROMOS96..Your advise are highly appreciate..

Thanks in advance,

-- 
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
013-7188131
alternative email : syafiqahabdulghani at gmail.com