Hello ,guys!
I'm trying to balance my system with NVT, but the following error appears:
Fatal error: Group Water_and_ions referenced in the .mdp file was not found in the index file. Group names must match either [moleculetype] names or custom index group names, in which case you must supply an index file to the '-n' option of grompp.
I already tried to create two index.ndx files. 1 containing protein_lig and another water_ions, but it didn't work either. Does anyone know how I can fix it?
P.S - I'm a beginner.
Henrique Barros de Lima
I got an answer:
"If you changed NA to SOD then you need to make a new index file to include SOD. And then replace Water_and_ions with SOD_Water in the.mdp file." - DaminiMehra
It worked.
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