AMBER Archive (2007)

Subject: AMBER: IFVARI parameter

From: Ed Pate (pate_at_math.wsu.edu)
Date: Tue Feb 27 2007 - 15:22:43 CST

Dear Amber community:

I am trying to use distance restraints with Amber 8. I am a little
confused from the manual regarding the implications of IFVARI>0. As I
understand, this will cause r1->r4 to vary between their assigned
values and r1a->r4a betweeen time steps NSTEP1 and NSTEP2. The same will
be true for rk2 and rk3,rk2a and rk3a. The question I have is whether
this is a step function discontinuity in values at NSTEP2, or do the
parameters vary linearly or in some other continuous fashion between
NSTEP1 and NSTEP2? If it is the latter case and not linear, what is the
transition formula?

Thanks for the help.

Ed Pate
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu