[gmx-users] topology error
David van der Spoel
spoel at xray.bmc.uu.se
Fri Sep 17 08:55:59 CEST 2004
On Fri, 2004-09-17 at 00:06, parinald at unsl.edu.ar wrote:
> Hi All:
> I have a non-protein molecule in DMSO.
> After convert gromos96 topology file to Gromacs topology (with convert
> program), I try to execute grompp...
> processing topology...
> Generated 0 of the 946 non-bonded parameter combinations
> Cleaning up temporary file grompp9xctdT
> Fatal error: Moleculetype Protein contains no atoms
you'll have to check the .top file with chapter 5 of the manual close
by. There definitely is an error in the topology but it's impossible to
judge what. Maybe missing [ atoms ] section?
> I don`t know how to avoid (or solve) this problem, any idea?
> Thank you very very much.
> 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, Assoc. 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