From: Jhonatam Cordeiro Rodrigues (jcrodrig_at_aggies.ncat.edu)
Date: Wed Apr 02 2014 - 00:42:17 CDT
Hi Norman
Thank you for the answer, twice :). I decided to post it on the right
mailing list, as you suggested.
Jhonatam Cordeiro
On Wed, Apr 2, 2014 at 1:06 AM, Norman Geist <norman.geist_at_uni-greifswald.de
> wrote:
> Little error in last post, this should work:
>
>
>
> set my400 [atomselect top "resid 1 to 10"]
>
> $my400 set {x y z} [vecscale [$my400 get {x y z}] [expr sqrt(400/300)]]
>
> $my400 delete
>
> set all [atomselect top all]
>
> $all writepdb "mymodifiedrestart.vel"
>
> $all delete
>
>
>
> Norman Geist.
>
>
>
> *Von:* owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] *Im
> Auftrag von *Jhonatam Cordeiro Rodrigues
> *Gesendet:* Dienstag, 1. April 2014 22:30
> *An:* namd-l_at_ks.uiuc.edu
> *Betreff:* namd-l: Assigning different temperatures to simulation
>
>
>
> Hello
>
>
>
> How would be the proper way for me to assign different temperatures for
> different parts of my simulation. I'm trying to assign a temperature to a
> substrate (400K) while a liquid on top of it is initially at (300K), so
> that I can visualize how the liquid behave during the heat up.
>
>
>
>
>
> All the best
>
> Jhonatam Cordeiro
>
> Ph.D student
>
> NCA&T-Department of Industrial Engineering
>
>
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