[gmx-users] Dummies usage doubts
Jones de Andrade
johannesrs at gmail.com
Thu Oct 11 18:52:11 CEST 2007
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
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
I'll run a single molecule now.
Thanks a lot in advance,
On 10/11/07, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> Jones de Andrade wrote:
> > Hi Prof. David.
> > What details do you mean? Actual topology files are attached. Anything
> > Thanks a lot in advance!
> > Sincerally yours,
> > Jones
> There is something wrong in the topology, youäll have to debug it
> 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.
> spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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