VMD-L Mailing List
From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Mon Feb 19 2024 - 14:08:30 CST
- Next message: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Previous message: Amir: "Re: atomselection near periodic boundaries"
- Next in thread: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Reply: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Reply: Joel Subach: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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:)
- Next message: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Previous message: Amir: "Re: atomselection near periodic boundaries"
- Next in thread: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Reply: Paweł Kędzierski: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Reply: Joel Subach: "Re: Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]