small query...

From: hl332_at_drexel.edu
Date: Fri Aug 18 2006 - 11:17:25 CDT

HI all,
 I was trying to add zero sodium ions and 100 chloride ions. I am using the syntax below in autoionze plugin.It did not work, can someone let me know mistake?
psf file: hexamer_ws.psf
pdb file: hexamer_ws.pdb
syntax i used:
 package required autoionize
 autoionize -psf hexamer_ws.psf -pdb hexamer_ws.pdb -nna 0 -ncl 100

thanks in advance..
harish

-------------------------------------------------
Harish Vashisth
Graduate Student(Ph.D)
CAT-361,Department of Chemical & Biological Engg.
Drexel University, Philadelphia, PA
office: 215-895-5823

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