Dear Gromacs users, Im new to gromacs and I'm following a tutorial ( http://nmr.chem.uu.nl/~tsjerk/course/molmod/). Unfortunately, the tutorials doesn't say anything about how to update the topology file after using 'genion' to replace a few water molecules with ions. I manually edited the topology file and updated the number of water molecules and added the number of ions:
[ molecules ] ; Compound #mols Protein_chain_A 1 SOL 7791 Na+ 26 Cl- 23 But then when I tried to preprocess the structure with grompp, I got an error: Fatal error: No such moleculetype Na+ Any help will be greatly appreciated! Jose M. Borreguero
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