[gmx-users] cyclosporine A
Mark.Abraham at anu.edu.au
Mon Oct 17 14:23:08 CEST 2011
On 17/10/2011 5:01 PM, Алексей Раевский wrote:
> I need an advice concerninng topology building of such substance like
> cyclosporine A. I've tried to make it with antechamber tool, cause I
> wanted to use amber99sb forcefield. But the program gave me an error
> in the begining and no results in the end after 12 hours of
> calculations ))) Can you give any suggestions for my next steps? This
> compound is a peptide chain built from acyl-adenylated amino acids
> (L-valine, L-leucine, L-alanine, L-glycine, 2-aminobutyric acid,
> 4-methylthreonine, and D-alanine).
> Thank you very much!
If you're asking for antechamber help, you're on the wrong forum.
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