RE: AMBER: reg-adding ions

From: Ross Walker <>
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

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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Received on Wed Dec 10 2008 - 01:20:23 PST
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