Restraint_wt is not used for targeted md. It goes with the positional
restraints with ntr=1.
On Mon, Jul 23, 2018, 5:58 AM 李耀 <liyao17.mails.tsinghua.edu.cn> wrote:
> Hello Amber users,
>
>
> I'm trying to do targeted MD in Amber and have some problems in choosing
> values of the variables, for example tgtmdfrc and restraint_wt(for
> restraintmask). Is there any correlation between these two variables and
> the corresponding energy terms?
>
>
> Looking forward to your advices or examples or related documents
> recommended. Thank you all!
>
>
> Best,
> Yao Li
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Received on Mon Jul 23 2018 - 04:00:02 PDT
