********> bugfix.21
Author:   Tom Cheatham and Stephan Tanner
Date:     7/8/02

Programs: tleap, xleap

Severity: Moderate

Description:   re-use of a loop variable can affect the positions of ions

Fix: apply the following patch to amber7/src/leap/src/leap/octree.c

-------------------------------------------------------------
*** octree.c	1999/06/15 02:51:24	7.4
--- octree.c	2002/07/26 21:28:22	7.5
***************
*** 1548,1554 ****
  {
  VECTOR	vPoint;
  double	d;
! int	i, j, k, ct;
  int	iCompOk;
  float	*PfCharge;
  ATOM	*PaAtom, *PaAtoms;
--- 1548,1554 ----
  {
  VECTOR	vPoint;
  double	d;
! int	i, j, k, l, ct;
  int	iCompOk;
  float	*PfCharge;
  ATOM	*PaAtom, *PaAtoms;
***************
*** 1608,1614 ****
  			 */
  			iCompOk = 1;
  			PaAtom = PaAtoms;
! 			for (i=0; i<iAtoms; i++, PaAtom++) {
  				dX = vAtomPosition( *PaAtom ).dX - vPoint.dX;
  				dX = dX * dX;
  				dY = vAtomPosition( *PaAtom ).dY - vPoint.dY;
--- 1608,1614 ----
  			 */
  			iCompOk = 1;
  			PaAtom = PaAtoms;
! 			for (l=0; l<iAtoms; l++, PaAtom++) {
  				dX = vAtomPosition( *PaAtom ).dX - vPoint.dX;
  				dX = dX * dX;
  				dY = vAtomPosition( *PaAtom ).dY - vPoint.dY;
-------------------------------------------------------------

Workarounds:  none

Files affected: amber7/src/leap/src/leap/octree.c