[gmx-users] ff parameters,
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
> 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
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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