On Fri, May 11, 2012 at 9:10 PM, Anirban <reach.anirban.gh...@gmail.com>wrote:
> > > On Fri, May 11, 2012 at 7:36 PM, Shima Arasteh < > shima_arasteh2...@yahoo.com> wrote: > >> Dear gmx users, >> >> I'm going to simulate the POPC in water. >> I downloaded required files in Tielman site and made the .top file. Then >> included the CHARMM27.ff in the .top file. >> > Its better to use CHARMM36 FF. It is more accurate towards the lipids and available from the GROMACS user contribution section. > When I run the grompp I get the fatal error as below: >> Atomtype CB not found >> >> I have done the same with gromos87.ff . But I didn't see any error. >> What's the problem? >> Anybody may suggest me how to solve this problem? Is this because of the >> forcefield? Or something in .top file goes wrong? >> >> > Have properly edited the CHARMM27 bonded and nonbonded .itp files to > include the Berger lipid parameters and have you included the POPC > topology? You can follow this tutorial to get an idea: > > https://sites.google.com/site/anirbanzz/gpcr-gromacs-tutorial > > -Anirban > > >> Thanks, >> Shima >> >> -- >> 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/Support/Mailing_Lists/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/Support/Mailing_Lists >> > >
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