I am new to GROMACS, running protein-ligand simulation.

The error is as follows: 

Fatal error:

Atomtype SDMSO not found. 

after the command: gmx grompp -f em.mdp -c solv_13948302.gro -p topol.top -o ions_13948302.tpr

Can you please help me to overcome this error? 

Thanks in advance,

Manasa

Similar questions and discussions