[gmx-users] atom type not found error

Maik Goette 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...

Regards

Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.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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