Re: [Wien] gather_energy

2015-11-26 Thread emami seyyed amir abbas
Thank you dears Elias and Gavin. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] gather_energy

2015-11-26 Thread Gavin Abo
The gather_energy.pl file needs to be in the PATH. There is more than one way to put it in the PATH. For example, you could export it to the PATH in .bashrc or copy the file to a location that is already in the PATH like your $WIENROOT directory. If the file has been made executable (chmod +x

Re: [Wien] gather_energy

2015-11-25 Thread Elias Assmann
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 11/25/2015 02:11 PM, emami seyyed amir abbas wrote: > Dear users > > I am trying to construct the case.energy as an input file for > BlotZtraP. My normal calculations were performed in parallel. Now I > want to use gather_energy.pl to generate case