[gmx-users] Re: Minimizing a structure having a heteroatom

[Mark Abraham]

On 3/03/2010 10:13 AM, bharat gupta wrote:
> Hi all
>
> I have modeled a structure with the active site residue as a
> heteroatom (formyl glycine) and when I am minimizing the structure
> gromacs is giving error that it cannot minimize it .. can anybody tell
> me how can i minimize it ...

No, because you haven't told us any useful diagnostics.

Mark