Hi Suryanarayana,
http://www.gromacs.org/Documentation/Errors is where i'd start. But to help
you along this error suggests that you have a different number of atoms in
your coordinate file(.gro) than your topology(.top) suggests. Often this can
be caused by adding or removing ions or solvent without modifying your .top
file.
Regards,
Dylan Smith
On 2012-05-22 15:03, Seera Suryanarayana wrote:
Dear all gromacs users,
I tried the
grompp and i got the following error.
Fatal error:
number of coordinates in coordinate file (1UZ9_ion.gro, 41103)
does not match topology (1UZ9.top, 41100)
Is there any explanation why is thid happening?
I would appreciate any help. Iam new in using MD and gromac in particular.
Suryanarayana Seera,
PhD student,
Hyderabad,
India.
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