[gmx-users] Re: Fatal error: Atomtype O2 not found

[Mark Abraham]

On 9/06/2012 10:30 PM, ramaraju801 wrote:
> yes, when creating the topology file i added atom O2 to the .rtp file when it
> said atom O2 is missing in atomstype
>

Adding O2 to any file is an effective solution. You need to fix your 
termini properly, by using pdb2gmx -ter or the contents of your 
coordinate file.

Mark