Hi,
These are all files I used in my calculate. And my original purpose is to get atom-atom interactions in RNA.
Best Regards
zhangzhuangzhuang
(lanzhou university)
> -----原始邮件-----
> 发件人: "Elvis Martis" <elvis.martis.bcp.edu.in>
> 发送时间: 2017-04-26 18:39:01 (星期三)
> 收件人: "AMBER Mailing List" <amber.ambermd.org>
> 抄送:
> 主题: [SPAM] Re: [AMBER] consult about LEaP in amber
>
> Hi,
> It's not clear what you want to do. Leap is a module to prepare system for various simulations using AMBER and not a tool to compute atom-atom interactions.
> Please send the leap.log file in order to understand what you are trying to do.
>
>     Best Regards
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
>  at Bombay College of Pharmacy
>
>
> A  Kalina, Santacruz [E], Mumbai 400098, INDIA
> W www.elvismartis.in
> Skype. adrian_elvis12
>
>
>
>
> -----Original Message-----
> From: 张壮壮 [mailto:zhangzhzh16.lzu.edu.cn]
> Sent: Wednesday, April 26, 2017 9:20 AM
> To: amber.ambermd.org
> Subject: [AMBER] consult about LEaP in amber
>
> Hello,
> I use LEaP to calculate atom-atom interactions energy in RNA.The platform is: Amber14 + AmberTool16. the pdb file and tleap.in and result file are attached.
> however.some atom-atom interactions are missed.like atom 197 with atom 240 in the 1.eout. I want to konw is this a normal or I did some wrong in some parameters?
> please help and thank you a lot!
>
>
>
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Received on Mon May 01 2017 - 07:30:02 PDT
