VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Mon Aug 24 2020 - 17:51:31 CDT

Hi Faisal,

It works for me. One thing I noticed - if I cut and paste the command, I don’t get the underscore in the file name. So you won’t have an output *.dx file.

Best,
JC

> On Aug 20, 2020, at 10:09 AM, Faisal, H M Nasrullah <hmnasrullah.faisal_at_ndsu.edu> wrote:
>
> Hi all,
>
> I am trying to follow MDFF tutorial. However, the very first command of generating .dx file is not working. Whenever I type the command
> mdff sim $sel -res 5 -o 4ake-target_autopsf.dx
>
> I have got an error message in Tkconsole
>
> Warning: guessing atomic number for atoms with unknown element...
>
> and after that nothing happened. No .dx file was generated.
>
> I can't understand the source of problem as I am working with the tutorial provided files. Is this MDFF tutorial workable or not?
>
>
> Thanks
> Faisal