[gmx-users] Simulation of the pure lipid bilayer

James Starlight jmsstarlight at gmail.com
Fri Apr 13 09:45:22 CEST 2012

Dear Gromacs Users!

I want to perform simulation of the pure bilayer surrounded by water. I'm
using already pre-equilibrated bilayers as the initial structure. During
conversion pdb-> gro -> pdb the velocities from initial equilibration runs
of the structure were lost. Should I start generating this velocities in my
production run ( gen_Vel= yes) or i must do equilibration instead first to
generate velocities? Finally what length should this equilibration be to
provide reasonable velocities for futrher MD run if I would avoild long
equilibration period because of suitability of my initial model?

Thanks for help,

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120413/2c49a376/attachment.html>

More information about the gromacs.org_gmx-users mailing list