[gmx-users] Error while running MD in DMSO!

[Mark Abraham]

Anil Kumar wrote:
> Dear All,
> 
> I am running my simulations in explicit MeOH and DMSO. In case of MeOH, it
> is running fine but while running in DMSO.
> 
> After running genbox i am having problem in running grompp for energy
> minimization.
> Error which i got is given below.
> 
> Cleaning up temporary file gromppkkHvWC
> Fatal error: Atomtype 'SD' not found!
> 
> Please, anyone let me know why it is happening when i had used the
> dmso.gro and dmso.itp files which is available by default to top folder.

They have to match the force field you're using, and the structure file 
you're using.

Mark