Dear Urszula,
> I want to simulate one protein with Zn2+ ion and with NAD. How can I
> prepare NAD.lib? Does anyone have the necessary amber lib for reading
> NAD into leap? Are there any examples I can follow?
There are a number of parameters available here:
http://pharmacy.man.ac.uk/amber/
You can also find a set of NAD+/NADH parameters in
$AMBERHOME/dat/contrib/NADH_and_NAD+
These were based on my doctorate work with LADH. You can find a copy at
http://www.rosswalker.co.uk under reports.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Sun Oct 01 2006 - 06:07:12 PDT
