No I need your help in any way, antechamber is not only the way I could do it, I think...I just showed you that I tried something before I wrote you a letter. It is not necessary to use amber forcefield, but I don't think that prodrg is a good choice for this task, though the only modification of the residues in the peptide is acylation. But may be you know something! Thank you very much?
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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