AMBER Archive (2007)

Subject: Re: AMBER: protonation of His residue!

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Dear Qiang Zhong,

In amber, you can use HIP as protonated histidine in PDB file. Then, make
tleap.

Best regards,T

Jitrayut

2007/8/24, Qiang Zhong <zqiang320_at_webmail.hzau.edu.cn>:
>
> Dear Amber Users:
> When I prepare .parm7 and .crd, I could not confirm that
> His residue was protonation. In NAMD software, I can do it by .pgn
> file. I want to know how to do it in Amber. Could somebody tell me?
> Thank you very much!
>
>
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