Alright thanks. So should I do it for proteins? On Tue, Dec 15, 2009 at 12:12 PM, XAvier Periole <x.peri...@rug.nl> wrote:
> > No need of position restrained simulation with the CG lipids. > CG is very forgiving :)) > > For proteins it is more delicate. > > On Dec 15, 2009, at 6:02 PM, sunny mishra wrote: > > Thanks for the reply. I have another quick question that If I have to do > the Position Restrained EM Simulation of CG DPPC lipid then is it done the > same way we do for atomistic structure of proteins like by defining the > LIPPOSRES in the lipid.mdp file or while using MARTINI forcefield is there > any other way of doing the Position Restrained EM simulation of CG DPPC > lipids? > > On Tue, Dec 15, 2009 at 10:55 AM, XAvier Periole <x.peri...@rug.nl> wrote: > >> I have downloaded the 128 DPPC lipid molecules from Dr. Tielmen's Website >>> and I am trying to convert the Atomistic structure to CG structure. For that >>> I am using atom2cg script provided by the martini folks but it doesn't >>> convert the Atomistic structure to CG structure. atom2cg script works well >>> for converting the atomistic structure of PROTEIN to CG structure of protein >>> but for LIPIDS it doesn't work. Does anyone know how can I convert the 128 >>> DPPC atomistic structure of lipids to CG structure. >>> >>> This is correct. atom2cg is only working for proteins ... >> >> I would suggest you take dppc structure file from the martini web site! >> >> Best Regards, >>> >>> Sunny >>> >>> -- >>> gmx-users mailing list gmx-users@gromacs.org >>> http://lists.gromacs.org/mailman/listinfo/gmx-users >>> Please search the archive at http://www.gromacs.org/search before >>> posting! >>> Please don't post (un)subscribe requests to the list. Use the >>> www interface or send it to gmx-users-requ...@gromacs.org. >>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >>> >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use thewww interface >> or send it to gmx-users-requ...@gromacs.org. >> >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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