[gmx-users] no coordinates in .top file

David van der Spoel spoel at xray.bmc.uu.se
Tue Oct 10 00:12:01 CEST 2006

Owen, Michael wrote:
> Fellow gmx users,
> I made a tolopgy file for TFE in water  by "hand" for the OPLSAA/L force 
> field to be used in a simulation containing a mixed solvent.  I made a 
> similar TFE.itp file and included it in the mixed solvent topology 
> file.  when I ran grompp before equilibrating the system I received an 
> error message that read:
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: grompp.c, line: 448
> Fatal error:
> number of coordinates in coordinate file (tfe.gro, 9)
>              does not match topology (tfe_mike.top, 0)
> -------------------------------------------------------
> Do you know why my topology file contains zero coordinates?  My topology 
> file is pasted below:

Topology looks fine, but grompp =will  give you more info when you run 
it with -v. Please read carefully what it saya
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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