: AMBER: basis set

From: ying xiong <yxiong.mail.ccnu.edu.cn>
Date: Wed, 3 Nov 2004 14:43:52 +0800

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
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Received on Wed Nov 03 2004 - 06:53:00 PST
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