[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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