[gmx-users] atoms in .top and .gro dont match

arunima singh arunima555 at rediffmail.com
Tue Apr 18 15:47:36 CEST 2006

I am simulating lysozyme 1AKI.pdb in water box gor normal mode analysis. The energy minimization and position restrained MD are running correctly but when doing grompp for normal mode it shows the error "stoms in .top anf .gro dont match(Cl-HW2)"
I dont understand what is going wrong. please help.
Arunima Singh
Bioinformatics Centre,
university of Pune

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