[gmx-users] RE: no coordinates in .top file

[David van der Spoel]

Owen, Michael wrote:
> Fellow gmx users,
> 
> thanks for the suggestion, however, applying -v to grompp did not yield 
> any additional information.  Shouldn't grompp read the number of 
> coordinates from the list of atoms in the [ atoms ] section?  Could 
> something be wrong with my .itp file?  Could it be that my .top and .itp 
> files are in my working directory instead of the Gromacs "share" directory?
> 

no, the problem is most likely in your topology.
post the output from grompp -v if you can not find the answer yourself.



-- 
David.
________________________________________________________________________
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://folding.bmc.uu.se
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