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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