Re: [gmx-users] Creating a monolayer from Martini bilayer

2013-06-03 Thread Mirco Wahab
On 03.06.2013 18:43, Neha wrote: I am a new user to Gromacs and am working on lipid simulations with the Martini forcefield. The Martini website provides a pre-equilibrated DPPC bilayer, and I was wondering if there were any told that would allow me to convert this bilayer into a monolayer. For p

Re: [gmx-users] Creating a monolayer from Martini bilayer

2013-06-03 Thread Tsjerk Wassenaar
Hey :) Just center the bilayer around z=0, solvate and put all molecules in the box with trjconv. Then add 10 to the PBC Z-component (third number from the last line in the .gro file). Cheers, Tsjerk On Mon, Jun 3, 2013 at 6:55 PM, Gunther Lukat wrote: > You could try packmol or the Membrane

Re: [gmx-users] Creating a monolayer from Martini bilayer

2013-06-03 Thread Gunther Lukat
You could try packmol or the MembraneEditor. http://www.cellmicrocosmos.org/index_cm2.php Dipl.-Inf. Gunther Lukat g.lu...@gmx.net www.aplvoro.org Am 03.06.2013 um 18:43 schrieb Neha : > Hello everybody, > > I am a new user to Gromacs and am working on lipid simulations with the > Martini f

[gmx-users] Creating a monolayer from Martini bilayer

2013-06-03 Thread Neha
Hello everybody, I am a new user to Gromacs and am working on lipid simulations with the Martini forcefield. The Martini website provides a pre-equilibrated DPPC bilayer, and I was wondering if there were any told that would allow me to convert this bilayer into a monolayer. For periodic boundary