VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Feb 18 2019 - 08:46:13 CST

You are making some strong statements here. A) how do you determine, that
the dihedrals are guessed "wrong"? B) what does "wrong" mean? Not what you
want or not what the algorithm says? C) you don't provide any proof or
details of an error, so how can somebody suggest a correction? And finally
D) did you provide correct bond information? If yes how?

Also, always name the version of vmd and topotools you are using.

Axel 

--
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.
On Mon, Feb 18, 2019, 14:31 اسحاق خداپرست سیاهمزگی <issac.kh72_at_gmail.com
wrote:
>
>
> Hi
> I used topo tools for writing lammps datafile. But this tools makes some
> wrong dihedrals. Is there any way to fix this error?
> Thanks
> Isaac
>