Re: Re: Fw: 来自"ZOU Changling" <zoucl@ihep.ac.cn>的邮件

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Nov 18 2015 - 20:15:49 CST

On Wed, Nov 18, 2015 at 8:34 PM, ZOU Changling <zoucl_at_ihep.ac.cn> wrote:
> Dear Abhishek:
>
> I have achieved the structure of Auranofin by Material Studio.But I don
> not know how to use the VMD tool to design parameters,could you please say
> clearly or give me the literature about it ?Besides,charmgui is what?You can
> give me more information about charmgui?

please talk to your adviser. you need more help and training than
anybody on a mailing list can ever provide you with.

axel.

>
> Thanks!
>
> Changling
>
>
>
> -----原始邮件-----
> 发件人: "Abhishek TYAGI" <atyagiaa_at_connect.ust.hk>
> 发送时间: 2015年11月18日 星期三
> 收件人: "Namd Mailing List" <namd-l_at_ks.uiuc.edu>, "ZOU Changling"
> <zoucl_at_ihep.ac.cn>
> 抄送:
> 主题: namd-l: Re: namd-l: Fw: 来自"ZOU Changling" <zoucl_at_ihep.ac.cn>的邮件
>
>
> Dear Zou,
>
>
> You can follow the fftk (VMD) tool to design the structure and parameter
> files. Alternatively, you may choose charmgui, this is also good idea.
>
>
>
> Abhishek Tyagi
>
> PhD Student
>
> Chemical and Biomolecular Engineering
>
> Hong Kong University of Science and Technology
>
> Clear Water Bay, Hong Kong
>
>
>
> ________________________________
> From: owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of ZOU
> Changling <zoucl_at_ihep.ac.cn>
> Sent: Wednesday, November 18, 2015 2:26 PM
> To: Namd Mailing List
> Subject: namd-l: Fw: 来自"ZOU Changling" <zoucl_at_ihep.ac.cn>的邮件
>
>
>
> Hello!
>
> I want to look for the parameters of Auranofin ,if someone has the
> information,please write to me.
>
>
> Regards,
>
> ZOU Changling
>
>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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