VMD-L Mailing List

From: Parvez Mh (parvezmh89_at_gmail.com)
Date: Sun Mar 27 2016 - 20:04:01 CDT

Bharat and Navneet;

I tried to make the fortran code easier. following things, you need to do:

1)Assign the correct value of *vmd *at the beginning of the code . That
should be full path of *vmd *executable
2) Compile the code

gfortran/ifort gauss_vmd.f90 -o gauss_vmd

3) Move the *gauss_vmd *in standard path like: /usr/bin/ etc
4) Open any *.com or *.out/*.log file from any location
gauss_vmd filename

You may face compilation error, if compiler is old, i tested in gcc-4.8 and
ifort-15.0
Please, let me know if you face any problem.

Cheers
Masrul

On Fri, Mar 25, 2016 at 4:54 AM, Navneet Bung <
navneet.bung_at_alumni.iiit.ac.in> wrote:

> Hi Marsul,
>
> Thank you for the reply !
> You can upload your script, once you are done with your exams. I use linux
> (ubuntu and fedora) OS.
>
> Regards
> Navneet
>
> On Thu, Mar 24, 2016 at 12:17 AM, Parvez Mh <parvezmh89_at_gmail.com> wrote:
>
>> Hi Navneet,
>>
>> Today, i am little busy with exam and submission. I will upload my code,
>> may be tomorrow. BTW, which OS(Mac OSx, linux or windows), you are working
>> on. I tested in Mac and Linux, it is fine. Do not know about windows, but
>> still u can use in windows.
>>
>> --Masrul
>>
>> On Wed, Mar 23, 2016 at 4:34 AM, Navneet Bung <
>> navneet.bung_at_alumni.iiit.ac.in> wrote:
>>
>>> Hi Parvez,
>>>
>>> Was following the mail chain "Gaussian *.log/out visualizein VMD"
>>> initiated by you. Currently, I am using gview but had some difficulties to
>>> load the Gaussian files in VMD (especially the log files). Would like to
>>> try the script and see if life becomes little simpler. Could you please
>>> send me the script that you have written to parse the Gaussian log file--94eb2c04f808fdde16052f117c8c--
--94eb2c04f808fdde1b052f117c8e--