********> bugfix.20
Author:   Bill Ross
Date:     3/2/98

Programs: leap

Severity: moderate

Description:  Leap can crash in saveamberparm.

Fix:  Apply the following patches to unitio.c:
-------------------------------------------------------------------------
*** OLD unitio.c
--- NEW unitio.c
***************
*** 5511,5516
  sAtomName(aChildAtom),
  (iAtomTempInt( aChildAtom ) == -1 ? 'Y' : 'N'));
  */
  				if ( iAtomTempInt( aChildAtom ) == -1 ) {
  					*PVAI( vaAtoms, ATOM, iNext++ ) = 
  								aChildAtom;

--- 5509,5520 -----
  sAtomName(aChildAtom),
  (iAtomTempInt( aChildAtom ) == -1 ? 'Y' : 'N'));
  */
+ 				/*
+ 				 *  stay within residue
+ 				 */
+ 				if ( cContainerWithin( aChildAtom ) !=
+ 				     cContainerWithin( aAtom ) )
+ 					continue;
  				if ( iAtomTempInt( aChildAtom ) == -1 ) {
  					*PVAI( vaAtoms, ATOM, iNext++ ) = 
  								aChildAtom;
***************
*** 5543,5548
  			break;
  		for ( j=0; j<iAtomCoordination(aAtom); j++ ) {
  			aChildAtom = aAtomBondedNeighbor( aAtom, j );
  			if ( iAtomTempInt( aChildAtom ) == iLevel-1 ) {
  			    /*
  			     *  choose lesser atom if >1, for readability

--- 5547,5558 -----
  			break;
  		for ( j=0; j<iAtomCoordination(aAtom); j++ ) {
  			aChildAtom = aAtomBondedNeighbor( aAtom, j );
+ 			/*
+ 			 *  stay within residue
+ 			 */
+ 			if ( cContainerWithin( aChildAtom ) !=
+ 			     cContainerWithin( aAtom ) )
+ 				continue;
  			if ( iAtomTempInt( aChildAtom ) == iLevel-1 ) {
  			    /*
  			     *  choose lesser atom if >1, for readability
------------------------------------------------------------------------------