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