[gmx-users] cyclosporine A

Алексей Раевский rayevsky85 at gmail.com
Mon Oct 17 08:01:21 CEST 2011

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!


Nemo me impune lacessit*
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