Lum Nforbi wrote:
Hi All,
I would like to include sodium ions into a water/AOT (sodium
di-2-ethylhexylsulfoccinate) cubic box. Can someone tell me how to do
this and how to include parameters for the sodium ion in the parameter file?
I appreciate your answers.
Shouldn't this be as simple as using genion and then:
#include "ions.itp"
in the topology? Or is there some other problem you're having?
-Justin
Lum
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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