On 17/10/2011 5:01 PM, Алексей Раевский wrote:
Hi!
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.
Mark
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