VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Apr 30 2010 - 08:38:27 CDT

On Fri, Apr 30, 2010 at 12:30 AM, Corey Fugate <fugate_at_hawaii.edu> wrote:
>        I'm getting an error message in paratools "Cannot find molecule -1 in
> atomselect's 'mo...'" when I try to scale the charges for charmm style
> charges.  The program no longer responds at this point.  I do not have a
> molecule loaded under the -1 ID because I'm just trying alanine as a test,
> so I don't know why it looking in -1 or what it's looking for.

did you load the required molecules?
i am just guessing here, i never used paratool myself,
but if you pop the GUI open, there are 4 entries that
default to molecule id -1 (i.e. invalid). i suppose that
you have to load all or some of those molecules first.

axel.

>
>                Any help would be great,
>
>                                                Corey
>
>
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.