[gmx-users] Ligand simulation

[RAHUL SURESH]

for Command



*gmx grompp -f em.mdp -c solv.gro -p conformer.top -o ions.tpr*
I get the following error.


*Warning: atom name 5839 in conformer.top and solv.gro does not match (H81
- 1H8)Warning: atom name 5840 in conformer.top and solv.gro does not match
(H82 - 2H8)*

Is it really an issue or can I use -maxwarn?

-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*