[gmx-users] error in coordinate file

Mark Abraham Mark.Abraham at anu.edu.au
Sat Feb 23 10:18:34 CET 2008


s lal badshah wrote:
> Hi,
> I am new to GROMACS.Currently I am working on a protein.For minimization 
> I prepare file and when I gave the command in the shell the following 
> output comes:
> Fatal error:
> number of coordinates in coordinate file (2a5f_b4ion.pdb, 40183)
>              does not match topology (2a5f.top, 40612)
> Please guide me what path I should follow to correct it.

Check out 
http://wiki.gromacs.org/index.php/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology

Mark



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