********>Bugfix 2:
Author: Ray Luo
Date: 05/2/2006
Programs: pbsa, sander
Description: sa_driver.f has a statement causing a negative number to be
taken square root. This is not correct, but many compilers
allow it.
Fix: apply the following patch to amber9/src/pbsa/sa_driver.f, and to
amber9/src/sander/sa_driver.f
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*** sa_driver.f Mon Apr 3 23:35:48 2006
--- sa_driver.f Tue May 2 12:05:09 2006
***************
*** 991,997 ****
dyij = acrd(2,jatm) - yi
dzij = acrd(3,jatm) - zi
d2 = dxij**2 + dyij**2 + dzij**2
! if ( d2 >= (ri + rj)**2 ) cycle
! setting up indexes ...
--- 991,997 ----
dyij = acrd(2,jatm) - yi
dzij = acrd(3,jatm) - zi
d2 = dxij**2 + dyij**2 + dzij**2
! if ( d2 >= (ri + rj)**2 .or. d2 <= (ri - rj)**2 ) cycle
! setting up indexes ...
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Temporary workarounds: none