AMBER Archive (2004)Subject: Re: AMBER: esp or resp for all_amino94.lib
From: FyD (fyd_at_u-picardie.fr)
Date: Fri Apr 30 2004 - 18:28:57 CDT
Dear Mikyung,
> I am wondering that what kind of charges are for all_amino94.lib in
> Amber7.0. Are they Esp or Resp?
RESP charges
> I first want to reproduce the charges for Arg with same geometry in
> all_amino94.lib and calculate the charges for neutral Arg.
>
> When I calculate charges using same geometry and method, am I supposed
> to have same charges for each residue as those in all_amino94.lib, right?
See:
http://amber.scripps.edu/Questions/mail/316.html
http://amber.scripps.edu/Questions/mail/317.html
http://amber.scripps.edu/Questions/mail/318.html
http://amber.scripps.edu/Questions/mail/319.html
Regards, Francois
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|