[Fwd: counterion software]

From: Cetin Baloglu (cetinb_at_su.sabanciuniv.edu)
Date: Sun Oct 10 2004 - 23:55:20 CDT


Sorry all, I've just  seen Wat2ions .

thanks ,
Cetin Baloglu


-------- Original Message --------
Subject: counterion software
Date: Mon, 11 Oct 2004 07:51:56 +0300
From: Cetin Baloglu <cetinb@su.sabanciuniv.edu>
To: namd-l@ks.uiuc.edu
References: <DMECLJODHHGEMPBKOOEHMEDECFAA.j.wilkie@bham.ac.uk> <003301c4aed4$adba8b40$2d64a8c0@ma> 


Hi,
I want to add some amount of chloride as counterion to my protein file, 
before running with namd. To be more effective , I don't want to do it 
manually. There is a program for that purpose on site ,unfortunately  it 
works only for sodium ion. I checked the C file, but couldn't find the 
variable to change sodium ion charge so as to mimick a negative ion. Can 
you offer me a script or a small program for that purpose.

thanks in advance.
Cetin Baloglu

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