Dear AMber users,
In my protein system I have couple disulfide bonds that I would like to keep intact. Before the MD simulations (AMBER12) I changed the CYS residues to CYX however after minimization step I observed that some of them are still broken?
I would like to keep the S-S bonds intact during entire MD? How should I do it?
Thank you in advance for your help.
/Urszula Uciechowska
------------------------------
Urszula Uciechowska, Ph.D.
Department of Chemistry
Umeå University
SE-901 87 Umeå, Sweden
urszula.uciechowska.chem.umu.se
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 08 2013 - 06:30:03 PST
