VMD-L Mailing List

From: Peter Freddolino (petefred_at_umich.edu)
Date: Mon Nov 23 2020 - 08:50:56 CST

Dear Eashan,
In general the expectation is that these should be working fine. It would
be helpful if you could send a clearly defined example of where you are
seeing problems; right now your description of the errors is quite general,
so it is hard to give any concrete advice. We would need to know both the
exact operations that you are doing that give an error, and the
version/platform of vmd that you're running.
Best,
Peter

On Sat, Nov 21, 2020 at 1:48 AM Eashan C <eashan.chopde_at_gmail.com> wrote:

> Hi,
>
> I’ve only recently been introduced to VMD/NAMD and am currently trying to
> work my way through the tutorials.
>
> I keep running into errors with regards to either the parameters given in
> the attached example files, or arithmetic operations across dcd files.
>
> The most recent error I’ve been baffled by is an error while calculating
> the average dipole moment across all frames of a simulation for a nanopore
> in the Bionanotechnology Tutorial.
>
> I keep getting an error along the lines of :
>
> Can’t use non-numeric floating point value as an operand of ‘-‘
>
> Unfortunately I don’t have a lot of computational processing experience
> nor am I well versed with code, I’ve been able to figure out the errors
> that have cropped up so far by going into the parameter files and tweaking
> values, I don’t have the luxury to do so with this error.
>
> My main question would be as to how to approach this particular problem.
>
> Secondly I wanted to confirm the compatibility of the tutorial files
> provided with the newer versions of VMD/NAMD
>
> Thanks and Regards
> Eashan Chopde
> Undergrad, BITS Pilani
>
>
> --
>
> Eashan Chopde
> Department of Sponsorship & Marketing
> BITS Pilani,
> Pilani.
>
>