[gmx-users] HFIP solvent box...

sharada sharada at ccmb.res.in
Wed Jan 5 13:42:25 CET 2011

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!


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