Hello AMBERS,
I am the author of the dockmolecules program in the examples in the
just released AmberTools-1.0. Unfortunately, I have to tell you that
this program is completely broken. A rework of part of the algorithm
is necessary to fix it, and I am not sure I have the interest left to
do this. I have asked Dr. Case to remove it from the distribution.
To repeat: DO NOT USE the dockmolecules program in the examples
directory of AmberTools-1.0; you will be wasting your time.
Bud Dodson
--
M. L. Dodson
Business Email: activesitedynamics-at-comcast-dot-net
Personal Email: mldodson-at-comcast-dot-net
Phone: eight_three_two-56_three-386_one
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Apr 18 2008 - 21:16:30 PDT
