There is already tutorial for creating lipid bilayer and insertion of protein into that for GROMACS http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html 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. http://people.ucalgary.ca/~tieleman/download.html
On Mon, Oct 17, 2011 at 14:31, Roy Lee <[email protected]> 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 > gromacs > > > > Any help is much appreciated. > > > > Thanks a lot! > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ----------------------- Regards, Bipin Singh -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
