Hi All,
The crystal structure of my protein of interest consists a disulfide bond
between two cysteine residues. But during protein preparation using tleap
the bond was broken and corresponding hydrogen were added at the terminal
sulfur. I run the simulation and during entire simulation the disulphide
bond was not formed ( as obvious). I want to know how can I prevent the
breaking of disulfide bond during md run? Shall I give the consideration to
disulfide bond or it is ok if AMBER adds the default hydrogen atoms.
Thanks,
Hirdesh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 23 2010 - 21:30:04 PDT
