Hi Prof. David. Yes, it a self created topology. This one is based on another self created topology that runs perfectly for cyclohexane. It was adapted to include the dummy atoms.
I guess there is something wrong in the definition of the dummies in the topology. But I have no clue where it is. Can you provide me some clue on this? I'll run a single molecule now. Thanks a lot in advance, Sincerally yours, Jones On 10/11/07, David van der Spoel <[EMAIL PROTECTED]> wrote: > > Jones de Andrade wrote: > > Hi Prof. David. > > > > What details do you mean? Actual topology files are attached. Anything > else? > > > > Thanks a lot in advance! > > > > Sincerally yours, > > > > Jones > > > There is something wrong in the topology, youäll have to debug it > yourself... > > -- > David van der Spoel, Ph.D. > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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