Re: amber charges
hi Bin!
take a look at http://amber.ch.ic.ac.uk/charges.txt
hope it helps
best regards
felipe
On Jun 25, 5:06pm, bxiong wrote:
> Subject: CCL:X-mailer: FoxMail 3.0 beta 2 [cn]
> Dear Members:
> because my residue in the protein is a non-normal amino acid ,so the AMBER
can not recognize it .I want to fit the charge . but I can not determine what
structure I use? Is I use the whole residue which have the normal COOH and NH2
or I use the structure which deleted OH and H(NH2) ? Can anyone give me
suggestion about how to calculate charge of it ?
> thanks!!!
>
>
>
>
> Best regards!
>
> bxiong at.at mail.shcnc.ac.cn
>
> Xiong Bin
> Shanghai Institute of Materia Medica, C.A.S.
> phone:021-64311833-222(office)
>
>
>
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>-- End of excerpt from bxiong
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* Felipe Pineda,PhD *
* Institut fuer Molekulare Biotechnologie *
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