********> bugfix.83, revised
Author:   Bill Ross
Date:     2/6/97, revised 2/8/97

Programs: Carnal

Severity: Moderate

Problem:  Problem reading STATIC sets when box is present

Revision: First version also repeated bugfix.67 changes (thanks
          to Peter Slickers for pointing this out).

Fix:  Make the following changes to static.c:
----------------------------------------------------------------------------
*** OLD static.c
--- NEW static.c
***************
*** 72,91 ****
  	}
  
  	/*
! 	 *  see if ATOM &/or BOX stmt, determining size of crd array(s)
  	 */
  
  	for (;;) {
  		if (!strcmp(tok, "ATOM")) {
          		if (statptr->idunion.stat.natoms)
  				inerr("STAT: 2 ATOM statements?", "");
          		statptr->idunion.stat.natoms = checkatoms(prm, 0);
! 		} else if (!strcmp(tok, "BOX")) {
! 			if (box)
! 				inerr("STAT: 2 BOX statements?", "");
! 			box = prm->IfBox;
! 			if (!box)
! 				inerr("BOX, but no box in prmtop","");
  			gettok();
  		} else
  			break;
--- 73,91 ----
  	}
  
  	/*
! 	 *  see if ATOM &/or NOBOX stmt, determining size of crd array(s)
  	 */
  
+ 	if (prm->IfBox)
+ 		box = 1;
  	for (;;) {
  		if (!strcmp(tok, "ATOM")) {
          		if (statptr->idunion.stat.natoms)
  				inerr("STAT: 2 ATOM statements?", "");
          		statptr->idunion.stat.natoms = checkatoms(prm, 0);
! 			box = 0;
! 		} else if (!strcmp(tok, "NOBOX")) {
! 			box = 0;
  			gettok();
  		} else
  			break;
***************
*** 165,171 ****
  					exit(1);
  				}
  			}
! 			printf("stat: read in %d atoms\n", i);
  			if (ifmt == RST  ||  ifmt == PDB)
  				break;
  			if (i == 0)
--- 165,175 ----
  					exit(1);
  				}
  			}
! 			if (box)
! 				printf("stat: read in %d atoms plus box\n", 
! 									i-1);
! 			else
! 				printf("stat: read in %d atoms\n", i);
  			if (ifmt == RST  ||  ifmt == PDB)
  				break;
  			if (i == 0)
----------------------------------------------------------------------------

Temporary workarounds: Specifying prmtop: don't specify (use default prmtop).
                       Box: no workaround.

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