VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Fri Mar 18 2016 - 09:35:59 CDT

Masrul,

There is some code in the QMTool and Force Field Toolkit plugins for parsing Gaussian log files and visualizing the results in VMD. However, since the content of the log file is specific to whatever calculation you have run, the parsers are equally specific. So, there is some code floating around, but whether it is useful or not is dependent on what your calculation is.

Regards,
Christopher Mayne

> On Mar 17, 2016, at 5:57 PM, Parvez Mh <parvezmh89_at_gmail.com> wrote:
>
> Dear all:
>
> Is it possible to visualize gaussian *.log/out file in vmd. I wrote a bash script to visualize *.com file of gaussian in vmd, that is a very trivial case. I know, for visualizing *log/out file, i might need to write code to convert coordinate in vmd acceptable format. I am curious, if vmd has already some plugin to do, so that i do not need to reinvent the wheel. I searched in the mailing list, but couldn't find something so.
>
> --Masrul