Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
You are not logged in.
Pages: 1
Hi there,
I'm trying to convert the orca .gbw file to a .molden file but get the error:
Note: Albeit "orca_2mklpath" parameter in settings.ini has been defined, the orca_2mkl executable file cannot be located, therefore the .gbw file cannot be directly opened by Multiwfn
in the terminal i typed: 'which orca' and got '/home/epstein/orca/orca_5_0_3_linux_x86-64_openmpi411_part1/orca'
I then went into the settings.ini file and placed this path in the orcapath and orca_2mklpath locations yet am still receiving the same error message. What am I doing wrong here?
Thanks!
Pages: 1