[gmx-users] Error in md simulation

Gonzalez Fernandez, Cristina cristina.gonzalezfdez at unican.es
Thu May 31 09:28:33 CEST 2018

Dear Gromacs users,

I am trying to perform a simulation, and this error apperars:
"131 non-matching atom names. Atom names from .top will be used, atom names from .gro will be ignored"

However, I have checked the name of the atoms (atom column) in [atoms] of .top and they are the same as the atoms name in  the second column of the .gro file.
Does anyone know how to solve it?

Any help will highly been appreciated.



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