AMBER Archive (2003)

Subject: Re: AMBER: question about ewald

From: darden (darden_at_gamera.niehs.nih.gov)
Date: Thu Oct 09 2003 - 15:38:10 CDT

The table is built to handle erfc of beta*r for r < cutoff (or cutoff plus
a little). So for example for beta = 1/3 and cutoff 9 angstroms the table
goes from 0 to 3. These are the units, so its sort of dimensionless. In
this case there would be 7500 points.
Hope this help
Tom D
 On 9 Oct 2003, Lishan Yao wrote:

> Hi:
> In amber7 manual p.100, eedtbdns is set 2500 points per unit in
> default. So what is that unit? 1 angstrom?
>
> Lishan
>

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