********>Bugfix 30:
Author: M.L. Dodson
Date: 12/29/02

Programs: roar-cp

Description: 
roar-cp needs a restart file with three entries after the title line: the
number of atoms, the simulation time (for md, 0 for min), and the number of
link atoms.  Without this patch, roar-cp generates a standard amber restart
file which is insufficient for roar-cp.  It complains with a pretty cryptic
error message, then aborts.  The error fixed by the patch is that the minrit
subroutine (in minrit.F) does not get compiled with the -DROAR_CP flag.


Fix:  apply the following patch to amber7/src/roar-2.1/Makefile

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

*** Makefile	2002/02/28 19:50:50	1.6
--- Makefile	2002/12/30 06:37:11
***************
*** 25,31 ****
  
  ROAR_OBJECT =  amopen.o compare.o ddotp.o degcnt.o dynlib.o echoin.o eis.o ene.o erfcc.o force.o grdmax.o ifshk.o indip.o lbfgs.o link_atoms.o locmem.o matinv.o mdfil.o mdread.o mdwrit.o mexit.o minrit.o misc.o nhc_integ.o nhc_lib.o nhc_mts.o nhc_propert.o nhc_setup.o nonbon.o nonbonew.o parallel.o pearsn.o period.o plane.o pme.o printe.o qmsort.o random.o rdparm.o resnba.o rfree.o rgroup.o runmd.o runmin.o sampnb.o sander.o setm.o setmm.o solpnt.o sys.o
                
! ROAR_CP_OBJECT =  amopen.o compare.o ddotp.o degcnt.o dynlib.CP.o echoin.o eis.o ene.CP.o erfcc.o force.o grdmax.o ifshk.o indip.o lbfgs.o link_atoms.o locmem.CP.o matinv.o mdfil.o mdread.CP.o mdwrit.o mexit.o minrit.o misc.o nhc_integ.CP.o nhc_lib.CP.o nhc_mts.CP.o nhc_propert.CP.o nhc_setup.o nonbon.o nonbonew.o parallel.o pearsn.o period.o plane.o pme.o printe.o qmsort.o random.o rdparm.CP.o resnba.CP.o rfree.o rgroup.o runmd.CP.o runmin.CP.o sampnb.o sander.CP.o setm.o setmm.o solpnt.o sys.o
                
  all: ${EXE}
  
--- 25,31 ----
  
  ROAR_OBJECT =  amopen.o compare.o ddotp.o degcnt.o dynlib.o echoin.o eis.o ene.o erfcc.o force.o grdmax.o ifshk.o indip.o lbfgs.o link_atoms.o locmem.o matinv.o mdfil.o mdread.o mdwrit.o mexit.o minrit.o misc.o nhc_integ.o nhc_lib.o nhc_mts.o nhc_propert.o nhc_setup.o nonbon.o nonbonew.o parallel.o pearsn.o period.o plane.o pme.o printe.o qmsort.o random.o rdparm.o resnba.o rfree.o rgroup.o runmd.o runmin.o sampnb.o sander.o setm.o setmm.o solpnt.o sys.o
                
! ROAR_CP_OBJECT =  amopen.o compare.o ddotp.o degcnt.o dynlib.CP.o echoin.o eis.o ene.CP.o erfcc.o force.o grdmax.o ifshk.o indip.o lbfgs.o link_atoms.o locmem.CP.o matinv.o mdfil.o mdread.CP.o mdwrit.o mexit.o minrit.CP.o misc.o nhc_integ.CP.o nhc_lib.CP.o nhc_mts.CP.o nhc_propert.CP.o nhc_setup.o nonbon.o nonbonew.o parallel.o pearsn.o period.o plane.o pme.o printe.o qmsort.o random.o rdparm.CP.o resnba.CP.o rfree.o rgroup.o runmd.CP.o runmin.CP.o sampnb.o sander.CP.o setm.o setmm.o solpnt.o sys.o
                
  all: ${EXE}
  
***************
*** 33,39 ****
  	../Compile LOAD -o roar$(SFX) ${ROAR_OBJECT}
  
  roar-cp$(SFX): ${ROAR_CP_OBJECT} mop7mm.a
! 	../Compile LOAD -o roar-cp$(SFX) ${ROAR_CP_OBJECT} mop7mm/mop7mm.a
  
  mop7mm.a:
  	cd mop7mm; make mop7mm.a
--- 33,39 ----
  	../Compile LOAD -o roar$(SFX) ${ROAR_OBJECT}
  
  roar-cp$(SFX): ${ROAR_CP_OBJECT} mop7mm.a
! 	../Compile LOAD -o roar-cp$(SFX) ${ROAR_CP_OBJECT} mop7mm/mop7mm.a mop7mm/blkdta000.o
  
  mop7mm.a:
  	cd mop7mm; make mop7mm.a
***************
*** 97,100 ****
--- 97,103 ----
  
  sander.CP.o:	sander.F
  	../Compile L3 -P -DROAR_CP -o $@ sander.F
+ 
+ minrit.CP.o:	minrit.F
+ 	../Compile L3 -P -DROAR_CP -o $@ minrit.F
  

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

Temporary workarounds: none