[gmx-users] Reproducing Chain Tilt on DPPC gel phase with Martini FF

[César Ávila]

Dear Xavier,
thanks for your response. Yes, indeed I have tried to contact the authors,
but perhaps they can't receive my mails. I have tried scaling sigma alone to
0.9 or 0.965 (which would correspond to a 10% reduction of radius or volume
respectively). Since some special particles scale epsilon along with sigma,
I also tried this, but with no success.
Cheers,
Cesar


2009/12/10 XAvier Periole <x.periole at rug.nl>

>
> On Dec 9, 2009, at 11:21 PM, César Ávila wrote:
>
>  Dear all,
>> I would like to simulate a DPPC membrane in gel phase using Martini Force
>> Field. As stated on
>>
>> "Simulation of gel phase formation and melting in lipid bilayers using a
>> coarse grained model", CPL 135 (2005) 223-244
>>
>> the correct 30º angle chain tilt for DPPC might be reproduced by reducing
>> the acyl chain spheres volume by 10%.
>>  So far, I have tried changing sigma and epsilon for C1-C1 pair
>> interaction without success.
>>
> The sphere volume or radius is defined by sigma. Epsilon deals with the
> strength of the interactions; you do not want to modify it.
> Did you try to contact the authors? They might be of better
> help!
>
>>
>> Best regards
>> Cesar Avila
>>
>>
>>
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