VMD-L Mailing List

From: politr_at_huji.ac.il
Date: Tue Apr 29 2008 - 06:43:23 CDT

Dear Axel,
In your mail from 17 Apr 2008 ("Re: measure hbonds between protein and
water - problem with periodic boundary conditions"
<http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/11433.html>) you
advised to use
pbc wrap -center "<selection text for molecule>" -all
I have tried to use it from VMD Tk console and it perfectly worked but
when I use it in tcl script I'm getting "invalid command name "pbs" ".
Do you (or anybody else) have any idea why it can happen.
Thanks
I'm trying to use my tcl script as input to VMD ( vmd1.8.6 -dispdev text
-eofexit < calc.tcl ) from Linux .
Regina