********> bugfix.56
Authors: James W. Caldwell and Bill Ross
Date:    3/20/93

Program:  minmd

Severity: moderate

Problem:  Crashing when large residues are used.

Cause:    Allocation of the array of type real was not checked
	  properly for the scratch space needed by the nonbonded
	  pairlist generator, resnba.

Fix:  Make the following changes to minmd/locmem.f:

----------------------------------------------

*** OLD locmem.f
--- NEW locmem.f
***************
*** 117,122 ****
--- 117,123 ----
  c     --- guess at nmxrs if not defined, but it always should be ---
  c     --- (really ought to just stop here...) ---
        if (nmxrs .le. 0) nmxrs = 50
+       lmxrs = nmxrs*nmxrs
  C
  C     --- set pointers for real arrays ---
  C
***************
*** 148,154 ****
        L85 = L80 + NONE
        L90 = L85 + 18*matom 
        L95 = L90 + matom
!       L100 = L95 + 3*matom
        LAST = L100 + 12* matom
  c
  c     --- Allocate Hollerith and integer scratch Space ---
--- 149,155 ----
        L85 = L80 + NONE
        L90 = L85 + 18*matom 
        L95 = L90 + matom
!       L100 = L95 + max(3*lmxrs,3*matom)
        LAST = L100 + 12* matom
  c
  c     --- Allocate Hollerith and integer scratch Space ---
----------------------

Temporary workarounds: Use sander.

Routines affected: locmem