********>Bugfix 11:
Author: Dave Case, reported by Jan Fredin
Date: 08/17/06
Programs: sander
Description: The minimization initialization in sander can attept a divide
by zero. No use is made of the returned value, so this is
generally innocuous, but it can cause problems if a fatal
exception is raised as a result.
Fix: apply the following patch to amber9/src/sander/runmin.f
------------------------------------------------------------------------------
*** runmin.f 3 Apr 2006 23:35:55 -0000 9.0
--- runmin.f 17 Aug 2006 22:36:33 -0000
***************
*** 128,133 ****
--- 128,134 ----
fold = 0.0d0
dxst = dx0
linmin = 0
+ gmin = 1.d0
if (iscale > 0) n = n + iscale
! ----- PARTITION THE WORKING ARRAY -----
------------------------------------------------------------------------------
Temporary workarounds: none