AMBER Archive (2008)

Subject: RE: AMBER: reg-adding ions

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Dec 09 2008 - 09:05:04 CST

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

/\
\/
|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu