Hello everyone,
I'm trying to run MD calculations on DNA with Zn2+ and Mg2+
counterions, and I'm having trouble placing the ions properly. I know
that Addions doesn't handle divalent cations, and I thought that
placing them by hand and relaxing them via minimization would not work
nicely since I'm running with implicit solvent. Does anyone know of a
good method to place these ions around DNA?
Also, does anyone know of a good set of parameters for octahedral zinc
that could work with DNA?
Thanks!
Mike Keller
UVA Chemistry Dept.
Received on Fri Jun 28 2002 - 12:46:11 PDT
