amber-developers: fillratio

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Mon, 30 Jun 2008 17:18:26 -0400

Dear all,

I'm trying to run mm_pbsa to do some PB calculations, (it works fine
with GB) but I get an error about the fillratio being too small. It
is set to 2.0 as a default and I want to change it to 3 for smaller
grid sizes. I have tried to change the fillratio flag in the input file,
but even though I do not get an error,
it simply does not use the read value. I can change the code by hand
(amber9/src/pbsa/is_init.f) but this of course defeats the purpose of an
input ;-)

Does anyone know what is going on ?

Thanks !
a. 



-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry
                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
Received on Wed Jul 02 2008 - 06:07:27 PDT
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