genPSF.pl cannot execute binary at /home/Cindy/Downloads/toolset/perl/CHARMM.pm line 92.

mmtsb / toolset

MMTSB Tool Set

GNU Affero General Public License v3.0

30 stars 13 forks source link

genPSF.pl cannot execute binary at /home/Cindy/Downloads/toolset/perl/CHARMM.pm line 92. #6

Open Cindyweizheng opened 5 months ago

Cindyweizheng commented 5 months ago

hello! I download mmstb as the github readme constructions, and i add the PATH to my ~/.bashrc as the readme constructions. However,when i execute genPSF.pl ........ it reports error..I also add sudo x to the CHARMM.pm file , it doesn't work either. could you tell me how can i solve it,please?

mmtsb commented 5 months ago

You need to obtain and install the CHARMM program for this function to work.

Cindyweizheng commented 4 months ago

Thanks for help! It worked after I install the CHARMM program.