spoel at xray.bmc.uu.se
Tue Oct 14 07:44:01 CEST 2003
On Tue, 2003-10-14 at 03:13, CORINA BARBU wrote:
> Hello gmx-users!
> I try to run a simulation on a molecule which is NOT a protein(or other
> biomolecule). No matter which of the ff implemented in gromacs I choose the
> result is this:
> "Fatal error: Residue '' not found in residue topology database."
> I kind of expected it, I imagine that these ff do not have defined at least one
> atomtype that I need for my molecule.
> Where from to start fixing the problem?
> Does one really need the residue topology database?
> Or what's the matter?
check out the prodrg server. Link on gromacs website
> Thanks! Corina
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users