[gmx-users] CHARMM GUI to Gromacs
bipinelmat at gmail.com
Mon Oct 17 11:36:56 CEST 2011
There is already tutorial for creating lipid bilayer and insertion of
protein into that for GROMACS
Why you have used Charmmgui I am not able to understand.
You can get some useful topologies from below link,but I don't know how useful
it might be for your case.
On Mon, Oct 17, 2011 at 14:31, Roy Lee <royleeyh at gmail.com> wrote:
> Dear all,
> I would like to simulate my protein in a lipid bilayer using gromacs 4.5.4,
> and a forcefield of gromos96. However i don't have the topologies files for
> lipid bilayer for POPE and DMPE. Anybody knows where can i get the
> topologies file for POPE and DMPE ? Before that, i had actually used the
> CHARMM GUI to put my protein into the lipid bilayer. From there, i am not
> sure how i am able to use the output from CHARMM GUI to do md simulation in
> Any help is much appreciated.
> Thanks a lot!
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