[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!


Sharada



"The person addressed in the email is the sole authorized recipient. 
Should you receive it in error, immediately notify the sender of the 
error and delete the e-mail. Any unauthorized dissemination or copying 
of this e-mail (or any attachment to this e-mail) or the wrongful 
disclosure of the information herein contained is prohibited. 
Also note that this form of communication is not secure, it can be 
intercepted, and may not necessarily be free of errors and viruses 
in spite of reasonable efforts to secure this medium."
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110105/f7016da9/attachment.html>


More information about the gromacs.org_gmx-users mailing list