[gmx-users] HFIP solvent box...

Justin A. Lemkul jalemkul at vt.edu
Wed Jan 5 13:45:58 CET 2011

sharada wrote:
> Hello everybody,
> Wish you a happy new year 2011.
>  I need to simulate a peptide in HFIP ( hexafluoro-propanol) solvent. As 
> I was browsing I came across a reprint in J.Phys.Chem.B 2001 titled 
> */'Model of 1,1,1,3,3,3-Hexafluoro-propan-2-ol for Molecular Dynamics 
> Simulations'/*  published from Groningen Biomolecular Sciences 
> group.Expecting that
> it will be available on the gromacs wiki I searched there,  however to 
> my dissappointment I  could't find it there. Can the authors of the 
> paper be kind enough to
> provide me the  solvent box if possible. The help will be appreciated. 
> Thanks a ton!

Rather than hope that these authors are members of the users' list, you'd 
probably have more immediate success if you contact the corresponding author of 
the paper directly.  That why such information is listed.


> Sharada
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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