Re: [gmx-users] HFIP solvent box...

2011-01-05 Thread Justin A. Lemkul
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'/*

[gmx-users] HFIP solvent box...

2011-01-05 Thread sharada
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 Gro