Hi,Yanze Zhang,
I think HF/6-31G(d) was used to generate the ESP charge for all the amino acid residues.
>
>Could some one tell me which basis set I should use in Gaussian98 to
>generate the ESP input to RESP for neutral lysine and arginine? Any
>advice will be appreciated.
>Thanks.
>
>Eric
>-----------------------------------------------------------------------
>The AMBER Mail Reflector
>To post, send mail to amber.scripps.edu
>To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 03 2004 - 06:53:00 PST
