[gmx-users] Error: number of coordinates in coordinate file XXXX.pdb does not match topology (topol.top)

[Diego Enry]

Error: number of coordinates in coordinate file XXXX.pdb does not
match topology (topol.top)

Yes, that's really the problem. Check their # of atoms in .pdb and
.top files (count 3xSOL).  You may have used editconf+genbox more than
once. Just start it all over again.

Please remember to search the archive at http://www.gromacs.org/search
before posting.


On 8/28/07, Lycourgos Chiniadis <lchiniadis at gmail.com> wrote:
> Dear Gromacs users,
>
> I tried the grompp and I got the following message: '' Error: number of
> coordinates in coordinate file XXXX.pdb does not match topology
> (topol.top)''.
> Is there any explanation why is this happening?
>
> I would appreciate any help. I am new in using MD and Gromacs in particular.
>
> Thank you in advance,
>
> Best regards,
>
> Lykourgos Chiniadis
> Agricultural University of Athens
> Physics Department
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-- 
Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.