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:
This is probably included in the files for that tutorial. You can find
links to the files from here:
On Sun, Sep 16, 2012 at 8:42 PM, Jacqueline Schmidt <
> 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
> *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:
> Best Regards
> 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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