Re: [AMBER] TI +- variance is coming out to be very high

From: <steinbrt.rci.rutgers.edu>
Date: Tue, 5 Oct 2010 03:34:16 -0400 (EDT)

Hi,

from the naked values alone its hard to see what may have gone wrong here.
Did you check your simulations for convergence? What kind of change are
you simulating? Do plots of your dVdl values come out smooth and suitable
for numerical integration?

Kind Regards,

Thomas

Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 05 2010 - 01:00:03 PDT
Custom Search