[gmx-users] Gromacs 54a7 force field
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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