[gmx-users] Gromacs 54a7 force field

Justin Lemkul jalemkul at vt.edu
Wed Jul 18 23:38:50 CEST 2012

On 7/18/12 5:37 PM, Rajat Desikan wrote:
> Hi all...
> I heard that gromos 54a7 ff is much better for simulations than 53a6. i have
> a membrane protein system. To simulate it, should I include the berger lipid
> parameters manually as shown in justin Lemkul's membrane protein tutorial?

The Berger parameters should (in theory) be compatible, but 54A7 also introduced 
changes to the Gromos96 lipid parameters.  Whatever force field you determine to 
be the "best" is included in the same manner as the tutorial suggests.



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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