AMBER Archive (2004)Subject: Re: AMBER: reproduction of RESP charges for Gly
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue May 04 2004 - 15:35:49 CDT
> > They used two Gly conformations for RESP
> > charge-fitting in reference. What does this mean?
>
> Best to read the papers involved.
... my understanding of which is that charges were fitted
on ESP's derived from 2 representative conformations to
make them more general.
Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|