RE: AMBER: NAD parameters

From: Ross Walker <>
Date: Thu, 28 Sep 2006 08:32:48 -0700

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:

You can also find a set of NAD+/NADH parameters in

These were based on my doctorate work with LADH. You can find a copy at under reports.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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Received on Sun Oct 01 2006 - 06:07:12 PDT
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