From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Jul 27 2011 - 14:10:17 CDT
Then I think you should be fine with 2 fs timestep, until the ABF forces on
those angles and dihedrals far exceed those from the force field, which I
don't think very likely.
On Wed, Jul 27, 2011 at 3:01 PM, Ajasja Ljubetič
> Which atoms define the colvars that you're forcing through ABF?
> I'm applying a 2D ABF to the ring of my spin label (angle and dihedral
> colvars). So only heavy atoms (C N and O).
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:30 CST