[gmx-users] Gromacs 54a7 force field

2012-07-18 Thread Rajat Desikan 
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?
Thanks

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Re: [gmx-users] Gromacs 54a7 force field

2012-07-18 Thread Justin Lemkul 



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

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin




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