[gmx-users] Questions about the MFFA boundary implementation of Gromacs?

[song.yongshun]

I have read the paper of "Application of Mean Field Boundary Potentials in Simulations of Lipid Vesicles" carefully ,and I have just read the Louhivuori-PNAS paper.

However,I didn't find what I want.
I will make the question clear.
In the paper,it said " In order to resolve this issue, artificial pores
were introduced into the vesicle. To achieve this, a purely
repellent cylindrical potential with a force constant of 50 kJ
mol-1 nm-2 and a radius of R ) 1.8 nm diameter was used."
My question is :
 Whether the artificial pores method has been implemented or not in the MFFA version of Gromacs?








At 2013-04-27 16:02:06,"XAvier Periole" <x.periole at rug.nl> wrote:
>
>It is not clear what you are asking. Could you try to reformulate your problem/question?
>
>Did you read the Louhivuori-PNAS papers? There are lots of details in the supplementary material. 
>
>On Apr 27, 2013, at 6:43, "song.yongshun" <song.yongshun at 163.com> wrote:
>
>> Dear all:
>> I was using the MFFA version of Gromacs which is provided by m.j.louhivuori at http://md.chem.rug.nl/~mara/mffa.html.
>> I have some quesition about this version:
>> 
>> i.I saw the implementation of MFFA always with the flip-flop of lipid.Can I apply the flip-flop with this MFFA version of Gromacs ?
>> ii.I also saw the description of implementation of MFFA along only one direction.Is this available in this MFFA version of Gromacs?
>> 
>> 
>> Anyone who is familar with it help me.
>> -- 
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