RE: AMBER: reg-adding ions

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 9 Dec 2008 07:05:04 -0800

Hi Balaji,

>is there any possible way to put a complex cation like
>cobalt(III) hexammine or some other complexex like
>ferric and ferrous cations

Technically yes although you are going to have to provide all the parameters
for the complex that you wish to add - this will require a considerable
amount of work if someone hasn't already done the work and published the
details.

All the best
Ross


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|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
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Received on Wed Dec 10 2008 - 01:20:23 PST
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