[gmx-users] no coordinates in .top file

[David van der Spoel]

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.
________________________________________________________________________
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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