VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Mon Feb 19 2024 - 14:08:30 CST

Anyone Completed ffTK Calc Bonded Tab using the ORCA generated .gbw file
instead of the Gaussian generated .chk within the opt Geom Tab for the
input below within the ffTK Calc Bonded Tab:

Opt.Geom CHK/OUT file: 2-geomOpt/ETOH.geomOpt.chk

but instead using:

Opt.Geom CHK/OUT file: 2-geomOpt/ETOH.geomOpt.gbw

?

Thanks if you know:)