[gmx-users] problem in recognising the atom type

Mark Abraham Mark.Abraham at anu.edu.au
Thu Aug 23 07:36:21 CEST 2007

gurpreet singh wrote:
> Hello Users
> I am using gromacs 3.3 with the force field 43a1.
> I have an organic compund in my simulation so i used the Dundee Prodrg2 
> server for getting the .itp file. Then i added the corresponding .itp 
> file in the top file .
> While running the grompp i am getting the following error
> Fatal error:
> Atomtype 'OS' not found!
> OS is one of the atom type in the .itp file generated above.  i have 
> checked in the manual this is a well  defined atom type so what else 
> could be the reason for this problem.

OS is not defined in 43a1.


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