Re: problem with namddat_unix: Plz help...

From: hl332_at_drexel.edu
Date: Fri Mar 16 2007 - 13:58:38 CDT

Hi,
   I want namddat only because i want to look at data in a single file. "namdplot" plugin is not flexible enough to manipulate and plot the data in the way i want it to be. Thanks for your reply. I have now figured out what modifications need to be done to "namddat" in order to make it work.

Thanks again

Harish

-------------------------------------------------
Harish Vashisth (Ph.D Candidate)
CAT-361,Chemical & Biological Engg.
Drexel University, Philadelphia, PA
office: 215-895-5823

----- Original Message -----
From: JC Gumbart <gumbart_at_ks.uiuc.edu>
Date: Friday, March 16, 2007 2:49 pm
Subject: Re: namd-l: problem with namddat_unix: Plz help...

> You want namdplot, not namddat, I think.
>
> On Mar 16, 2007, at 12:10 PM, <hl332_at_drexel.edu> <hl332_at_drexel.edu>
>
> wrote:
>
> > Hi all,
> > I am not sure there is a problem with namddat_unix script
> > (Downloaded from namdtututorialfiles) or I am making some
> mistakes
> > in running it. Here is the thing:
> >
> > I tried running this script in my terminal by:
> >
> > ./namddat_unix TEMP mainrun.log
> >
> > I GET following message in terminal:
> > ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC
>
> > TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG
> > Calculating average of TEMP
> >
> > Finally i get a file called data.dat
> > Opening it with emacs/xemacs shows nothing except a single line:
>
> > TS TEMP. I tried plotting with xmgrace, i see nothing (obviously
>
> > when there is no data in it).
> >
> > I dont know where did i go wrong. Any help will do great.
> >
> >
> > Regards
> > Harish
> >
> >
> >
> > -------------------------------------------------
> > Harish Vashisth (Ph.D Candidate)
> > CAT-361,Chemical & Biological Engg.
> > Drexel University, Philadelphia, PA
> > office: 215-895-5823
>
>

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