Re: use Colvars to track four group of pair atoms distance at same time?

From: yjcoshc_at_gmail.com
Date: Fri Nov 22 2019 - 13:23:13 CST

Hi Jiali,

You may need four independent colvar sections. For example:

colvar {

     name dist1

     distance {

         ...

     }

}

colvar {

     name dist2

     distance {

         ...

     }

}

Best regards,

Haochuan Chen

在 2019/11/22 下午12:59, Jiali Wang 写道:
> Dear NAMD users,
> Good afternoon, Is that possible to tracking four pair atom distances
> independently at same time and apply harmonic constant? I am trying to
> use four  part of distance { }. But I found in the colvars.traj file,
> it only provides one column distance tracking results. Could some help
> me with this?
> Thank you for your time!
> Jiali
>
> colvar {
>   name length
>   outputAppliedForce off
>
>   distance {
>     group1 {
>       atomNumbers 11530
>     }
>     group2 {
>       atomNumbers 10888
>     }
>     }
>   distance {
>   group1 {
>       atomNumbers 5266
>     }
>     group2 {
>       atomNumbers 4624
>     }
>     }
>   distance {
>   group1 {
>       atomNumbers 11794
>     }
>     group2 {
>       atomNumbers 17152
>     }
>   }
> }

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