[gmx-users] ff parameters,

Justin Lemkul jalemkul at vt.edu
Sat Nov 10 14:57:44 CET 2012

On 11/10/12 8:47 AM, rama david wrote:
> Hi justin,
> If you dont mind please give the link for gromacs 4 paper , it will surely
> help
> me to decide ff and parameter...


The Gromacs 4 paper is the one from 2008.  I doubt it will help you make any 
decisions about force fields; the simulations used OPLS-AA with the cutoffs I 
described.  If you're looking for more detailed information about force field 
comparisons, look up the work of Robert Best and others.  They have done some 
excellent comparisons of force fields and provide very nice detail as far as 
proper usage.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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