[gmx-users] Problem with DHT residue not found.

[Domenico Schitti]

Dear Gromacs Users,

I have to run an md simulation for the 1I37.pdb file, but when I try to get a topology gromacs give me that error:

Fatal error:
Residue 'DHT' not found in residue topology database

So I downloaded a DHT.itp from ATB online but I dont understand how to properly use it for solve my problem in the fastest way possible.

I tried to delete all DHT entries from the .pdb file, generating a topology file.
Then I write #include "dht.itp directory" on the topology made from that modified pdb file.. But I think thats wrong.

I read the manual but cant understand well what to do. 
Can you please give some suggestions?

Thank you.


Best regards,
Domenico Schitti,