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

XAvier Periole x.periole at rug.nl
Thu Dec 10 10:08:37 CET 2009

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
> Best regards
> Cesar Avila
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