VMD-L Mailing List
From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Sun Oct 22 2023 - 07:21:10 CDT
- Next message: Bill McIntyre: "Script to Build Cyclic Peptides"
- Previous message: Joel Subach: "Re: ffTK FATAL ERROR: UNABLE TO FIND IMPROPER PARAMETERS Inquiry"
- Next in thread: Josh: "Re: ffTK Opt Torsions Refine Section i.e. PERIODICITY, PHASE SHIFT Values?"
- Reply: Josh: "Re: ffTK Opt Torsions Refine Section i.e. PERIODICITY, PHASE SHIFT Values?"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hello VMD Community:),
for the above topic is there a table somewhere i.e. CGenFF where I can find
the specific set of
periodicity and phase shift values for my specific molecule to be ffTK Opt
Torsions Tab Refined
towards updating my dihedral parameters within the refine section?
Thanks if you know:)
Joel 🚀
- Next message: Bill McIntyre: "Script to Build Cyclic Peptides"
- Previous message: Joel Subach: "Re: ffTK FATAL ERROR: UNABLE TO FIND IMPROPER PARAMETERS Inquiry"
- Next in thread: Josh: "Re: ffTK Opt Torsions Refine Section i.e. PERIODICITY, PHASE SHIFT Values?"
- Reply: Josh: "Re: ffTK Opt Torsions Refine Section i.e. PERIODICITY, PHASE SHIFT Values?"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]