Urgent Help: Error- atoms are not part of any of the T-Coupling groups

User discussions
1

when i run my nvt.mdp file i got the following error
Fatal error:
73 atoms are not part of any of the T-Coupling groups

what should i do to resolve this

2

This other post might be helpful

3

thank you @Karis for reply.
i used this command but the issue was not resolved.
I did it another way:
actually my protein had Hem group in it and when i check it has 73 atoms. according to my docking studies Lig should show interaction with protein and Hem as well.
so while generating index file i combined protein, Hem and lig togatehr and in nvt.mdp file i changed the tc grp from Protein_Lig water and ions to Protein_Hem_Lig Water_and_ions .
and it worked for me.
Is that a good way to do this ?

4

That should be fine

5

Alright
thank you :)