Re: [AMBER] umbrella sampling question

From: 钟海洋 <haiyangzhong.zju.edu.cn>
Date: Thu, 31 Oct 2019 11:45:42 +0800 (GMT+08:00)

thank you very much :)


> -----原始邮件-----
> 发件人: diego.soler.uam.es
> 发送时间: 2019-10-30 22:10:23 (星期三)
> 收件人: "AMBER Mailing List" <amber.ambermd.org>
> 抄送:
> 主题: Re: [AMBER] umbrella sampling question
>
> Just put the desired restraints one after the other in your
> constraints file. It works like that, is that simple :)
>
>
> Quoting 钟海洋 <haiyangzhong.zju.edu.cn>:
>
> > hi,guys,
> >
> > i want to run a 2d umbrella sampling to monitor the distance
> > and angle at the same time, so how could i write the infile and
> > resistant file?
> >
> > thanks
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Received on Wed Oct 30 2019 - 21:00:01 PDT
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