From: Ehsan Ban (ehsan.ban_at_gmail.com)
Date: Sun Sep 16 2012 - 20:01:45 CDT
Hi Dear Jakie,
I use run at the end of the config file at place these lines before it:
tclForces on
tclForcesScript ThermalEquilStretch.tcl
This is probably included in the files for that tutorial. You can find
links to the files from here:
http://www.ks.uiuc.edu/Training/Tutorials/
Best Regards
Ehsan
On Sun, Sep 16, 2012 at 8:42 PM, Jacqueline Schmidt <
jacqueline_schmidt_1983_at_yahoo.com> wrote:
> Hello Ehsan,
> I have read this, but where is the run command in config file? plus I see
> that the forces are scaled but let say I want to dump the force values into
> a file named force.txt, then what should I do?
> Thanks a lot
> jakie
>
> ------------------------------
> *From:* Ehsan Ban <ehsan.ban_at_gmail.com>
> *To:* Jacqueline Schmidt <jacqueline_schmidt_1983_at_yahoo.com>
> *Sent:* Sunday, September 16, 2012 8:35 PM
> *Subject:* Re: namd-l: outputting atom coordinated
>
> Dear Jackie
>
> I think this section of the TclForces tutorial will help with the topic in
> the second part of your email:
>
>
> http://www.ks.uiuc.edu/Training/Tutorials/science/forces/forces-tutorial-html/node2.html#SECTION00022000000000000000
>
>
> Best Regards
> Ehsan
>
> On Sun, Sep 16, 2012 at 5:17 PM, Jacqueline Schmidt <
> jacqueline_schmidt_1983_at_yahoo.com> wrote:
>
> Dear Namd users,
> I want to use the Tcl Force commands to print the coordinates of a
> selected set of atoms onto a separate file. Should I include the tcl force
> section before the "run" in namd configuration? or it doesn't matter?
> Second how do I redirect the coordinated into a separate file?
>
> Thanks! jackie
> PS: I need the coordinates more often than what I'd output the dcd. That
> is why I am trying to use tclForces!
>
>
>
>
>
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