Dear List,
I am interested in simulating a protein in a nonaqueous solvent box
(specifically, chloroform). I am aware that AMBER provides a
pre-equilibrated chloroform box, but am interested in knowing how AMBER
treats counterions in the presence of such non-aqueous solvents.
Do I need to add counterions to my box in the presence of protein and
chloroform?
Your insight is greatly appreciated!
--
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
LinkedIn
Research Gate
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 07 2014 - 01:00:02 PDT
