VMD-L Mailing List

From: Samuel C Flores (samuel.flores_at_yale.edu)
Date: Thu Jun 15 2006 - 21:42:06 CDT

For some strange reason pdbalias seems to be doing nothing. I am using it
pretty much as indicated in the literature, but no amount of futzing will
get it to affect the output. Is there some magic dance that needs to be
done?

Sam

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
John Stone
Sent: Thursday, June 15, 2006 4:38 PM
To: Juan de Dios Lopez Castro
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: error Autoimd

Hi,
  What file(s) do you have loaded when this occurs?
Can you tell us the sequence of operations you're performing that
leads to this error? What values did you type into the various
entry fields before submitting the job?
I'll need to communicate this information to the individual
that wrote the autoimd plugin.

  John Stone
  vmd_at_ks.uiuc.edu
 
On Thu, Jun 15, 2006 at 11:04:02AM +0200, Juan de Dios Lopez Castro wrote:
> Hi all,
>
> I have posted a menssage about autoimd. You had asked me about the
> versión of vmd. I don't know repost, so I going to post it other
> time.
>
> I have tried AUTOIMD on windows and Fedora Core 2. I get always
> the same error:
>
> atomsel: frame -1 out of range for molecule 1
> atomsel: frame -1 out of range for molecule 1
> while executing
> "$all writepdb "$pdbfile""
> (procedure "initparams" line 49)
> invoked from within
> "initparams"
> (procedure "AutoIMD::submit" line 12)
> invoked from within
> "AutoIMD::submit "$AutoIMD::settings::moltenseltext""
> invoked from within
> ".autoimd.win.controls.submit invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 22)
> invoked from within
> "tk::ButtonUp .autoimd.win.controls.submit
> "
> (command bound to event)
>
> The versión of VMD is 1.8.4
>
> Thank you
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078