[AMBER-Developers] small dumb bug (and fix)

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 11 Mar 2010 23:37:26 -0500

Hello,

I found what I consider to be a little bit of a bug with the amoeba
tests. Setting the -O flag will not overwrite the restrt file (since
for the first step, 'N' is a hard-coded status requirement). I
believe I cut an amoeba test short for some reason, and when I re-ran
the test it quit in error since the restrt file existed (even though
-O was specified in the run script). While this doesn't actually
affect much of anything, it's not quite expected behavior... I
compiled a patch file if anyone (powerful) is interested in applying
it. As far as any amber patch can be considered 'trivial', this one
certainly is.

I know it's a mundane fix, and if it wasn't such an easy, isolated
patch, I wouldn't have bothered. All amoeba tests pass after applying
it.

Thanks!
Jason

-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032



_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers


Received on Thu Mar 11 2010 - 21:00:04 PST
Custom Search