[gmx-users] atom type not found error
mgoette at mpi-bpc.mpg.de
Wed May 23 13:47:08 CEST 2007
Hard to tell from that amount of information...
Seems, you don't include a forcefield...
Please describe in more detail, what you exactly did and maybe post the
head of your topology-file...
Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
Tel. : ++49 551 201 2310
Fax : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
WWW : http://www.mpibpc.gwdg.de/groups/grubmueller/
mahbubeh zarrabi wrote:
> Hello everybody;
> when I try to create the .tpr file from my .gro and
> .top files, using command "grompp", there is an error
> saying atomtype (e.g. OS) not found. when I look at
> the .atp file at gromacs directory,the atom types and
> their corresponding masses exist there.what could be
> the problem and how can I solve it?
> thank you in advance
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