[gmx-users] cyclosporine A

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 17 14:23:08 CEST 2011

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.


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