Carefully check the number of all the molecules listed in your
topology file [ molecules ] section and verify if that corresponds
exactly to the number of atoms in your coordinate file. You have added
some extra atoms/molecules in the topology.
Venky
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Venky Krishnamani
Dr.Janos K. Lanyi Lab,
D320, Medical Sciences I
University of California, Irvine
Irvine, CA 92697
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
On Feb 22, 2008, at 11:14 PM, 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.
Regards,
lal badshah
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