AMBER Archive (2008)

Subject: RE: AMBER: reg-adding ions

From: balaji nagarajan (balaji_sethu_at_hotmail.com)
Date: Mon Dec 08 2008 - 22:32:14 CST

dear ROSS.,
I got the idea .,
but I have a doubt
is there any possible way to put a complex cation
like
cobalt(III) hexammine
or some other complexex like
ferric and ferrous cations

if so please let me know
thanks in advance
balaji
 UOM India

From: ross_at_rosswalker.co.uk
To: amber_at_scripps.edu
Subject: RE: AMBER: reg-adding ions
Date: Mon, 8 Dec 2008 08:33:18 -0800

Hi Balaji,

 

It is possible to specify the exact number of ions you want on
the addions line so you just need to work out how many of each type of counter
you need for the concentration you want. You know how many water molecules you
have so this shouldn't be too difficult.

 

Then just do say:

 

addions mymol Cl- 20

addions mymol Na+ 20

 

to get 20 x NaCl

 

Good luck,

Ross

 

From:
owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of balaji
nagarajan

Sent: Monday, December 08, 2008 12:20 AM

To: amberforum

Subject: AMBER: reg-adding ions

 

Dear amber .,

I would like to to dynamics for a dna .,

is there any possible way to add salts in particular concentration

for example ...

magnesium chloride , cobalt chloride etc in the way how they

use it for crystallization ..

like milimolar concentration ..

or

we can add only ions separately

thanks in advance !

balaji.n

UOM , INDIA

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