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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Mar 3 00:29:14 CET 2010

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.


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