[gmx-users] HFIP solvent box...
sharada at ccmb.res.in
Wed Jan 5 13:42:25 CET 2011
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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