VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Jul 14 2018 - 01:16:28 CDT

On Thu, Jul 12, 2018 at 11:59 AM Yu,Wenjin <yuwenjin_at_ufl.edu> wrote:

> Dear VMD users,
>
>
> Hi, I coded a kaolinite surface file and also a water box file. I was able
> to run these files individually using VMD. The specific command is
> moltemplate.sh -vmd -atomstyle "full" -nocheck FILENAME.
>
> I used -nocheck since I haven't write the pair_coeff. But when I tried to
> visualize the two models together the terminal showed:
>
>
> psfplugin) WARNING: PSF file is incomplete, no angles, dihedrals,
> psfplugin) impropers, or cross-terms will be written.
> Info) Opened coordinate file system.psf for writing.
> Info) Finished with coordinate file system.psf.
> 1
>
> Why this doesn't work out? Thanks!
>

​what doesn't work out here?
it looks that VMD has read the .psf file just fine and for visualization,
you don't need angles, dihedrals and so on​.

​axel.​

>
> Jake
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.