AMBER Archive (2000)

Subject: force constants

From: Roberta Spadaccini (spadaccini_at_chemistry.unina.it)
Date: Thu Jun 22 2000 - 10:49:04 CDT

I'm solving the NMR structure of a 96 residues protein.
I've calculated structures with DYANA and I want to refine my structures
with restrained energy minimization with AMBER.
It's my first protein and I've some troubles with some parameters.
I'm using Dyana distance and angular constraints and I've some doubts on
rk2 and rk3 for bond and torsional restraints.
Can you give me some tips?
thanks
Roberta Spadaccini