Ferhati Azedine

3 Questions 10 Answers 0 Followers

Questions related from Ferhati Azedine

Is there any one experienced with Polyrate2010 to give me a file.dat as example with the option status 6 for all species involde in a reaction path?

We have just installed on our HP z820 station the soft of truhlar polyrate 2010 and need to begin with a simple usefull example with the status 6 in the .dat file , any help is kindly welcome

01 January 2015 6,220 3 View

How do I install the Gaussrate interface for Polyrate?

I received the following message: Welcome to GAUSSRATE 2009-A! ... installinggrep: ../src/Makefile: No such file or directory Do you want to use GAUSSRATE to perform VTST for barrierless...

10 October 2014 7,079 5 View

How to convert Gauusian 09 file to .xml using babel or obabel?

this conversion is needed for Mesmer3.0 (kinetics)

10 October 2014 1,852 2 View